6-[bis[(4-methoxyphenyl)methyl]amino]-4-chloropyridin-3-ol;4-chloro-5-(cyclopropylmethoxy)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine;4-chloro-5-(cyclopropylmethoxy)pyridin-2-amine

C55H59Cl3N6O7 — CID 158537769

IUPAC6-[bis[(4-methoxyphenyl)methyl]amino]-4-chloropyridin-3-ol;4-chloro-5-(cyclopropylmethoxy)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine;4-chloro-5-(cyclopropylmethoxy)pyridin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2cc(Cl)c(O)cn2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(Cl)c(OCC3CC3)cn2)cc1.Nc1cc(Cl)c(OCC2CC2)cn1
InChIInChI=1S/C25H27ClN2O3.C21H21ClN2O3.C9H11ClN2O/c1-29-21-9-5-18(6-10-21)15-28(16-19-7-11-22(30-2)12-8-19)25-13-23(26)24(14-27-25)31-17-20-3-4-20;1-26-17-7-3-15(4-8-17)13-24(21-11-19(22)20(25)12-23-21)14-16-5-9-18(27-2)10-6-16;10-7-3-9(11)12-4-8(7)13-5-6-1-2-6/h5-14,20H,3-4,15-17H2,1-2H3;3-12,25H,13-14H2,1-2H3;3-4,6H,1-2,5H2,(H2,11,12)
InChIKeyHODPLDFPEQEULY-UHFFFAOYSA-N
MW1022.47 g/mol
LogP12.52
Rot. Bonds20

About 6-[bis[(4-methoxyphenyl)methyl]amino]-4-chloropyridin-3-ol;4-chloro-5-(cyclopropylmethoxy)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine;4-chloro-5-(cyclopropylmethoxy)pyridin-2-amine

6-[bis[(4-methoxyphenyl)methyl]amino]-4-chloropyridin-3-ol;4-chloro-5-(cyclopropylmethoxy)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine;4-chloro-5-(cyclopropylmethoxy)pyridin-2-amine (PubChem CID 158537769) has the molecular formula C55H59Cl3N6O7 and a molecular weight of 1022.47 g/mol. Its IUPAC name is 6-[bis[(4-methoxyphenyl)methyl]amino]-4-chloropyridin-3-ol;4-chloro-5-(cyclopropylmethoxy)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine;4-chloro-5-(cyclopropylmethoxy)pyridin-2-amine.

Molecular Properties

Compound Name6-[bis[(4-methoxyphenyl)methyl]amino]-4-chloropyridin-3-ol;4-chloro-5-(cyclopropylmethoxy)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine;4-chloro-5-(cyclopropylmethoxy)pyridin-2-amine
PubChem CID158537769
Molecular FormulaC55H59Cl3N6O7
Molecular Weight1022.47 g/mol
Exact Mass1020.35
IUPAC Name6-[bis[(4-methoxyphenyl)methyl]amino]-4-chloropyridin-3-ol;4-chloro-5-(cyclopropylmethoxy)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine;4-chloro-5-(cyclopropylmethoxy)pyridin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2cc(Cl)c(O)cn2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(Cl)c(OCC3CC3)cn2)cc1.Nc1cc(Cl)c(OCC2CC2)cn1
InChIInChI=1S/C25H27ClN2O3.C21H21ClN2O3.C9H11ClN2O/c1-29-21-9-5-18(6-10-21)15-28(16-19-7-11-22(30-2)12-8-19)25-13-23(26)24(14-27-25)31-17-20-3-4-20;1-26-17-7-3-15(4-8-17)13-24(21-11-19(22)20(25)12-23-21)14-16-5-9-18(27-2)10-6-16;10-7-3-9(11)12-4-8(7)13-5-6-1-2-6/h5-14,20H,3-4,15-17H2,1-2H3;3-12,25H,13-14H2,1-2H3;3-4,6H,1-2,5H2,(H2,11,12)
InChIKeyHODPLDFPEQEULY-UHFFFAOYSA-N
XLogP12.52
TPSA146.78 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001022.47
LogP ≤ 512.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 6-[bis[(4-methoxyphenyl)methyl]amino]-4-chloropyridin-3-ol;4-chloro-5-(cyclopropylmethoxy)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine;4-chloro-5-(cyclopropylmethoxy)pyridin-2-amine with MolForge

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Related Compounds

5-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 147051492
4-[[[4-chloro-5-(2-hydroxyethoxy)-2-pyridinyl]-[(4-methylphenyl)methyl]amino]methyl]phenol;ethane
CID 155727322
2-amino-5-(cyclopropylmethoxy)pyridine-4-carbonitrile;2-amino-5-hydroxypyridine-4-carbonitrile
CID 161033462
5-bromo-4-fluoro-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 170041237
2-[2-[bis[(4-methoxyphenyl)methyl]amino]-5-methoxy-4-pyridinyl]-2-methylpropanenitrile
CID 155727313
6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
CID 59548404
3-chloro-4-(cyclopropylmethoxy)aniline
CID 19626993
N,N-bis[(4-methoxyphenyl)methyl]pyrazin-2-amine
CID 175520241
2-(4-bromo-2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 46828930
6-bromo-7-fluoro-N,N-bis[(4-methoxyphenyl)methyl]isoquinolin-3-amine
CID 176695054
6-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 172607469
2-[bis[(4-methoxyphenyl)methyl]amino]-N-methoxy-N-methylpyridine-4-carboxamide;2-chloro-N-methoxy-N-methylpyridine-4-carboxamide
CID 158218953

Frequently Asked Questions

What is the IUPAC name of 6-[bis[(4-methoxyphenyl)methyl]amino]-4-chloropyridin-3-ol;4-chloro-5-(cyclopropylmethoxy)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine;4-chloro-5-(cyclopropylmethoxy)pyridin-2-amine?
The IUPAC name of 6-[bis[(4-methoxyphenyl)methyl]amino]-4-chloropyridin-3-ol;4-chloro-5-(cyclopropylmethoxy)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine;4-chloro-5-(cyclopropylmethoxy)pyridin-2-amine (CID 158537769) is 6-[bis[(4-methoxyphenyl)methyl]amino]-4-chloropyridin-3-ol;4-chloro-5-(cyclopropylmethoxy)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine;4-chloro-5-(cyclopropylmethoxy)pyridin-2-amine.
What is the SMILES notation for 6-[bis[(4-methoxyphenyl)methyl]amino]-4-chloropyridin-3-ol;4-chloro-5-(cyclopropylmethoxy)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine;4-chloro-5-(cyclopropylmethoxy)pyridin-2-amine?
The canonical SMILES for 6-[bis[(4-methoxyphenyl)methyl]amino]-4-chloropyridin-3-ol;4-chloro-5-(cyclopropylmethoxy)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine;4-chloro-5-(cyclopropylmethoxy)pyridin-2-amine is COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(Cl)c(O)cn2)cc1.COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(Cl)c(OCC3CC3)cn2)cc1.Nc1cc(Cl)c(OCC2CC2)cn1.
What is the InChIKey of 6-[bis[(4-methoxyphenyl)methyl]amino]-4-chloropyridin-3-ol;4-chloro-5-(cyclopropylmethoxy)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine;4-chloro-5-(cyclopropylmethoxy)pyridin-2-amine?
The InChIKey is HODPLDFPEQEULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O3.C21H21ClN2O3.C9H11ClN2O/c1-29-21-9-5-18(6-10-21)15-28(16-19-7-11-22(30-2)12-8-19)25-13-23(26)24(14-27-25)31-17-20-3-4-20;1-26-17-7-3-15(4-8-17)13-24(21-11-19(22)20(25)12-23-21)14-16-5-9-18(27-2)10-6-16;10-7-3-9(11)12-4-8(7)13-5-6-1-2-6/h5-14,20H,3-4,15-17H2,1-2H3;3-12,25H,13-14H2,1-2H3;3-4,6H,1-2,5H2,(H2,11,12).
What are the key properties of 6-[bis[(4-methoxyphenyl)methyl]amino]-4-chloropyridin-3-ol;4-chloro-5-(cyclopropylmethoxy)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine;4-chloro-5-(cyclopropylmethoxy)pyridin-2-amine?
6-[bis[(4-methoxyphenyl)methyl]amino]-4-chloropyridin-3-ol;4-chloro-5-(cyclopropylmethoxy)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine;4-chloro-5-(cyclopropylmethoxy)pyridin-2-amine has a molecular weight of 1022.47 g/mol, XLogP of 12.52, 20 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis[(4-methoxyphenyl)methyl]amino]-4-chloropyridin-3-ol;4-chloro-5-(cyclopropylmethoxy)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine;4-chloro-5-(cyclopropylmethoxy)pyridin-2-amine is sourced from PubChem (CID 158537769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).