N-[3-[(4-chlorophenyl)methoxy]phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide

C23H18ClN5O2 — CID 66549600

IUPACN-[3-[(4-chlorophenyl)methoxy]phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(OCc2ccc(Cl)cc2)c1)c1ccnc(Nc2ccncc2)n1
InChIInChI=1S/C23H18ClN5O2/c24-17-6-4-16(5-7-17)15-31-20-3-1-2-19(14-20)27-22(30)21-10-13-26-23(29-21)28-18-8-11-25-12-9-18/h1-14H,15H2,(H,27,30)(H,25,26,28,29)
InChIKeyNRQMVTBQEIXTQK-UHFFFAOYSA-N
MW431.88 g/mol
LogP5.10
Rot. Bonds7

About N-[3-[(4-chlorophenyl)methoxy]phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide

N-[3-[(4-chlorophenyl)methoxy]phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide (PubChem CID 66549600) has the molecular formula C23H18ClN5O2 and a molecular weight of 431.88 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)methoxy]phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)methoxy]phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide
PubChem CID66549600
Molecular FormulaC23H18ClN5O2
Molecular Weight431.88 g/mol
Exact Mass431.11
IUPAC NameN-[3-[(4-chlorophenyl)methoxy]phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(OCc2ccc(Cl)cc2)c1)c1ccnc(Nc2ccncc2)n1
InChIInChI=1S/C23H18ClN5O2/c24-17-6-4-16(5-7-17)15-31-20-3-1-2-19(14-20)27-22(30)21-10-13-26-23(29-21)28-18-8-11-25-12-9-18/h1-14H,15H2,(H,27,30)(H,25,26,28,29)
InChIKeyNRQMVTBQEIXTQK-UHFFFAOYSA-N
XLogP5.10
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.88
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313921
N-[3-(cyclopropanecarbonylamino)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide
CID 66550429
N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 71493009
2-(3-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109309818
2-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315052
2-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313540
N-[3-(1-amino-3-phenylpropan-2-yl)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide
CID 66550830
2-anilino-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313397
2-[4-(diethylamino)anilino]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317672
N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317290
N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide
CID 109313448
2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide
CID 109318161

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)methoxy]phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[3-[(4-chlorophenyl)methoxy]phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide (CID 66549600) is N-[3-[(4-chlorophenyl)methoxy]phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)methoxy]phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)methoxy]phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide is O=C(Nc1cccc(OCc2ccc(Cl)cc2)c1)c1ccnc(Nc2ccncc2)n1.
What is the InChIKey of N-[3-[(4-chlorophenyl)methoxy]phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide?
The InChIKey is NRQMVTBQEIXTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O2/c24-17-6-4-16(5-7-17)15-31-20-3-1-2-19(14-20)27-22(30)21-10-13-26-23(29-21)28-18-8-11-25-12-9-18/h1-14H,15H2,(H,27,30)(H,25,26,28,29).
What are the key properties of N-[3-[(4-chlorophenyl)methoxy]phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide?
N-[3-[(4-chlorophenyl)methoxy]phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide has a molecular weight of 431.88 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)methoxy]phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 66549600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).