N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide

C21H21ClN6O2 — CID 22594077

IUPACN-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1cc(Cl)ncn1
InChIInChI=1S/C21H21ClN6O2/c1-14-2-3-16(11-17(14)27-19-12-18(22)24-13-25-19)26-21(29)15-4-5-23-20(10-15)28-6-8-30-9-7-28/h2-5,10-13H,6-9H2,1H3,(H,26,29)(H,24,25,27)
InChIKeyUURBRQUGNHSRTR-UHFFFAOYSA-N
MW424.89 g/mol
LogP3.67
Rot. Bonds5

About N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide

N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide (PubChem CID 22594077) has the molecular formula C21H21ClN6O2 and a molecular weight of 424.89 g/mol. Its IUPAC name is N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide
PubChem CID22594077
Molecular FormulaC21H21ClN6O2
Molecular Weight424.89 g/mol
Exact Mass424.14
IUPAC NameN-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1cc(Cl)ncn1
InChIInChI=1S/C21H21ClN6O2/c1-14-2-3-16(11-17(14)27-19-12-18(22)24-13-25-19)26-21(29)15-4-5-23-20(10-15)28-6-8-30-9-7-28/h2-5,10-13H,6-9H2,1H3,(H,26,29)(H,24,25,27)
InChIKeyUURBRQUGNHSRTR-UHFFFAOYSA-N
XLogP3.67
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-Methyl-3-[6-(4-Methylpiperazin-1-Yl)-4-Oxidanylidene-Quinazolin-3-Yl]phenyl]-2-Morpholin-4-Yl-Pyridine-4-Carboxamide
CID 22238181
Bisanilinopyrimidine, 9a
CID 70702148
Bisanilinopyrimidine, 9c
CID 70702150
N-[4-[[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475611
N-[4-Methyl-3-[[4-(3-Pyridinyl)-2-Pyrimidinyl]Amino]Phenyl]-3-Pyridinecarboxamide
CID 4327
(E)-4-(4-(Dimethylamino)but-2-enamido)-N-(4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)benzamide
CID 25123232
2-[[5-Chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]benzamide
CID 90667135
N-[3-[[5-chloro-2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 145990338
4-[5-(3-Fluoro-5-morpholinobenzamido)-2-methylanilino]2-methylthiopyrimidine
CID 9803969
N-{4-Methyl-3-[2-(1-methyl-piperidin-3-ylmethoxy)-pyrimidin-4-ylamino]-phenyl}-2-morpholin-4-yl-isonicotinamide
CID 9827930
2-Chloro-4-[2-methyl-5-(2-morpholinopyrid-4-ylcarbonylamino)anilino]pyrimidine
CID 9867061
N-{3-[2-(3-Dimethylamino-2,2-dimethyl-propoxy)-pyrimidin-4-ylamino]-4-methyl-phenyl}-2-morpholin-4-yl-isonicotinamide
CID 9892864

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide?
The IUPAC name of N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide (CID 22594077) is N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide?
The canonical SMILES for N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1cc(Cl)ncn1.
What is the InChIKey of N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide?
The InChIKey is UURBRQUGNHSRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN6O2/c1-14-2-3-16(11-17(14)27-19-12-18(22)24-13-25-19)26-21(29)15-4-5-23-20(10-15)28-6-8-30-9-7-28/h2-5,10-13H,6-9H2,1H3,(H,26,29)(H,24,25,27).
What are the key properties of N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide?
N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide has a molecular weight of 424.89 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 22594077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).