N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide

C90H93Cl3N12O6 — CID 161220244

IUPACN-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(Cc2cccc(-c3ccnc(CCCc4ccc(O)c(Cl)c4)n3)c2)C(C)C)cn1.Cc1ccncc1C(=O)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1)C(C)C.Cc1cncc(C(=O)N(Cc2cccc(-c3ccnc(CCCc4ccc(O)c(Cl)c4)n3)c2)C(C)C)c1
InChIInChI=1S/3C30H31ClN4O2/c1-20(2)35(30(37)25-12-10-21(3)33-18-25)19-23-7-4-8-24(16-23)27-14-15-32-29(34-27)9-5-6-22-11-13-28(36)26(31)17-22;1-20(2)35(30(37)25-18-32-14-12-21(25)3)19-23-7-4-8-24(16-23)27-13-15-33-29(34-27)9-5-6-22-10-11-28(36)26(31)17-22;1-20(2)35(30(37)25-14-21(3)17-32-18-25)19-23-7-4-8-24(15-23)27-12-13-33-29(34-27)9-5-6-22-10-11-28(36)26(31)16-22/h3*4,7-8,10-18,20,36H,5-6,9,19H2,1-3H3
InChIKeyUXKFEHRRXYLAEK-UHFFFAOYSA-N
MW1545.17 g/mol
LogP19.30
Rot. Bonds27

About N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide

N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 161220244) has the molecular formula C90H93Cl3N12O6 and a molecular weight of 1545.17 g/mol. Its IUPAC name is N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
PubChem CID161220244
Molecular FormulaC90H93Cl3N12O6
Molecular Weight1545.17 g/mol
Exact Mass1542.64
IUPAC NameN-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(Cc2cccc(-c3ccnc(CCCc4ccc(O)c(Cl)c4)n3)c2)C(C)C)cn1.Cc1ccncc1C(=O)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1)C(C)C.Cc1cncc(C(=O)N(Cc2cccc(-c3ccnc(CCCc4ccc(O)c(Cl)c4)n3)c2)C(C)C)c1
InChIInChI=1S/3C30H31ClN4O2/c1-20(2)35(30(37)25-12-10-21(3)33-18-25)19-23-7-4-8-24(16-23)27-14-15-32-29(34-27)9-5-6-22-11-13-28(36)26(31)17-22;1-20(2)35(30(37)25-18-32-14-12-21(25)3)19-23-7-4-8-24(16-23)27-13-15-33-29(34-27)9-5-6-22-10-11-28(36)26(31)17-22;1-20(2)35(30(37)25-14-21(3)17-32-18-25)19-23-7-4-8-24(15-23)27-12-13-33-29(34-27)9-5-6-22-10-11-28(36)26(31)16-22/h3*4,7-8,10-18,20,36H,5-6,9,19H2,1-3H3
InChIKeyUXKFEHRRXYLAEK-UHFFFAOYSA-N
XLogP19.30
TPSA237.63 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds27
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001545.17
LogP ≤ 519.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide with MolForge

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Related Compounds

5-bromo-N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide
CID 58199546
N-[2-(4-amino-3-chlorophenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine;N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-2-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-4-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[2-(3-chloro-4-methoxyphenyl)ethyl]-4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-amine
CID 162111969
N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-ethylmethanesulfonamide
CID 58199582
2-chloro-4-[3-[4-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
CID 58199550
2-chloro-4-[2-[[4-[3-[[ethyl(propan-2-yl)amino]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 58603674
5-bromo-N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]-2-methyl-1H-pyrimidin-6-yl]phenyl]methyl]-N-propan-2-ylpyridine-3-carboxamide
CID 155479322
N-[(3-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 43460190
2-chloro-4-[3-[4-[3-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]pyrimidin-2-yl]propyl]phenol
CID 58199741
N-(3-aminopropyl)-N-[[3-[2-[3-(3-chlorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]methanesulfonamide
CID 58199884
tert-butyl N-[[3-(2-chloropyrimidin-4-yl)phenyl]methyl]-N-propan-2-ylcarbamate;2-chloro-4-[[[4-[3-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]amino]methyl]phenol
CID 87247299
N-butan-2-yl-5-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 50980220
1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol
CID 157341167

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide (CID 161220244) is N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide is Cc1ccc(C(=O)N(Cc2cccc(-c3ccnc(CCCc4ccc(O)c(Cl)c4)n3)c2)C(C)C)cn1.Cc1ccncc1C(=O)N(Cc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1)C(C)C.Cc1cncc(C(=O)N(Cc2cccc(-c3ccnc(CCCc4ccc(O)c(Cl)c4)n3)c2)C(C)C)c1.
What is the InChIKey of N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is UXKFEHRRXYLAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C30H31ClN4O2/c1-20(2)35(30(37)25-12-10-21(3)33-18-25)19-23-7-4-8-24(16-23)27-14-15-32-29(34-27)9-5-6-22-11-13-28(36)26(31)17-22;1-20(2)35(30(37)25-18-32-14-12-21(25)3)19-23-7-4-8-24(16-23)27-13-15-33-29(34-27)9-5-6-22-10-11-28(36)26(31)17-22;1-20(2)35(30(37)25-14-21(3)17-32-18-25)19-23-7-4-8-24(15-23)27-12-13-33-29(34-27)9-5-6-22-10-11-28(36)26(31)16-22/h3*4,7-8,10-18,20,36H,5-6,9,19H2,1-3H3.
What are the key properties of N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide?
N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 1545.17 g/mol, XLogP of 19.30, 27 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-4-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-5-methyl-N-propan-2-ylpyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 161220244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).