2-(2-chlorophenyl)-N-[2-cyano-4-[2-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]acetamide

C24H17ClN6O — CID 130204632

IUPAC2-(2-chlorophenyl)-N-[2-cyano-4-[2-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]acetamide
SMILESN#Cc1cc(-c2ccnc(Nc3ccncc3)n2)ccc1NC(=O)Cc1ccccc1Cl
InChIInChI=1S/C24H17ClN6O/c25-20-4-2-1-3-16(20)14-23(32)30-21-6-5-17(13-18(21)15-26)22-9-12-28-24(31-22)29-19-7-10-27-11-8-19/h1-13H,14H2,(H,30,32)(H,27,28,29,31)
InChIKeyRQOPWGZHRHAJDZ-UHFFFAOYSA-N
MW440.89 g/mol
LogP4.99
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[2-cyano-4-[2-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]acetamide

2-(2-chlorophenyl)-N-[2-cyano-4-[2-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]acetamide (PubChem CID 130204632) has the molecular formula C24H17ClN6O and a molecular weight of 440.89 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-cyano-4-[2-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-cyano-4-[2-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]acetamide
PubChem CID130204632
Molecular FormulaC24H17ClN6O
Molecular Weight440.89 g/mol
Exact Mass440.12
IUPAC Name2-(2-chlorophenyl)-N-[2-cyano-4-[2-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]acetamide
SMILESN#Cc1cc(-c2ccnc(Nc3ccncc3)n2)ccc1NC(=O)Cc1ccccc1Cl
InChIInChI=1S/C24H17ClN6O/c25-20-4-2-1-3-16(20)14-23(32)30-21-6-5-17(13-18(21)15-26)22-9-12-28-24(31-22)29-19-7-10-27-11-8-19/h1-13H,14H2,(H,30,32)(H,27,28,29,31)
InChIKeyRQOPWGZHRHAJDZ-UHFFFAOYSA-N
XLogP4.99
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.89
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chlorophenyl)-N-[2-cyano-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]phenyl]acetamide
CID 130204505
3-(2-anilinopyrimidin-4-yl)-N-[(2,3-dichlorophenyl)methyl]benzamide
CID 10072388
N-[2-cyano-4-[2-[[5-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyridinyl]amino]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide
CID 66571679
N-(5-chloro-2-cyanophenyl)-2-(2-chlorophenyl)acetamide
CID 60628654
N-[2-cyano-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 51357563
N-[2-cyano-4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2,2,3,3-tetrafluoropropanamide
CID 88898270
2-(oxan-4-yloxy)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]benzonitrile
CID 66571025
2-(4-chloroanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
CID 109316972
2-(2-chlorophenyl)-N-(3-fluoro-4-pyridinyl)acetamide
CID 122156122
4-[[4-(3-cyano-4-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]amino]benzamide;N-[4-[[4-(3-cyano-4-pyrrolidin-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 158864698
4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide
CID 10090314
N-(4-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 18069719

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-cyano-4-[2-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-cyano-4-[2-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]acetamide (CID 130204632) is 2-(2-chlorophenyl)-N-[2-cyano-4-[2-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-cyano-4-[2-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-cyano-4-[2-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]acetamide is N#Cc1cc(-c2ccnc(Nc3ccncc3)n2)ccc1NC(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-cyano-4-[2-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]acetamide?
The InChIKey is RQOPWGZHRHAJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN6O/c25-20-4-2-1-3-16(20)14-23(32)30-21-6-5-17(13-18(21)15-26)22-9-12-28-24(31-22)29-19-7-10-27-11-8-19/h1-13H,14H2,(H,30,32)(H,27,28,29,31).
What are the key properties of 2-(2-chlorophenyl)-N-[2-cyano-4-[2-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]acetamide?
2-(2-chlorophenyl)-N-[2-cyano-4-[2-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]acetamide has a molecular weight of 440.89 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-cyano-4-[2-(pyridin-4-ylamino)pyrimidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 130204632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).