N-(2-cyano-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxamide

C18H11F2N5O — CID 67162779

IUPACN-(2-cyano-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxamide
SMILESCc1cc(-c2cc(F)cc(F)c2)nc(C(=O)Nc2ccnc(C#N)c2)n1
InChIInChI=1S/C18H11F2N5O/c1-10-4-16(11-5-12(19)7-13(20)6-11)25-17(23-10)18(26)24-14-2-3-22-15(8-14)9-21/h2-8H,1H3,(H,22,24,26)
InChIKeyIHLDKOYGCBSAIO-UHFFFAOYSA-N
MW351.32 g/mol
LogP3.25
Rot. Bonds3

About N-(2-cyano-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxamide

N-(2-cyano-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxamide (PubChem CID 67162779) has the molecular formula C18H11F2N5O and a molecular weight of 351.32 g/mol. Its IUPAC name is N-(2-cyano-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxamide
PubChem CID67162779
Molecular FormulaC18H11F2N5O
Molecular Weight351.32 g/mol
Exact Mass351.09
IUPAC NameN-(2-cyano-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxamide
SMILESCc1cc(-c2cc(F)cc(F)c2)nc(C(=O)Nc2ccnc(C#N)c2)n1
InChIInChI=1S/C18H11F2N5O/c1-10-4-16(11-5-12(19)7-13(20)6-11)25-17(23-10)18(26)24-14-2-3-22-15(8-14)9-21/h2-8H,1H3,(H,22,24,26)
InChIKeyIHLDKOYGCBSAIO-UHFFFAOYSA-N
XLogP3.25
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxamide
CID 87293309
N-(2-chloro-4-pyridinyl)-4-(5-fluoro-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 87293261
4-(methylamino)pyridine-2-carbonitrile
CID 45079907
2-cyano-N-(3-pyridin-4-yl-1H-indazol-5-yl)pyridine-4-carboxamide
CID 155481934
4-hydrazinylpyridine-2-carbonitrile
CID 62925156
N-(3-methylphenyl)-4,6-diphenylpyrimidine-2-carboxamide
CID 3456434
4-(2,3,5-trifluoroanilino)pyridine-2-carbonitrile
CID 62937273
2-[(2-cyano-4-pyridinyl)amino]propanamide
CID 62926737
2-cyano-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]pyridine-4-carboxamide
CID 158059126
4-(5-fluoro-3-pyridinyl)-6-methyl-N-phenylpyridine-2-carboxamide
CID 67162954
2-[(2-cyano-4-pyridinyl)amino]acetamide
CID 62924991
4-(2-methoxyethylamino)pyridine-2-carbonitrile
CID 62924815

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxamide?
The IUPAC name of N-(2-cyano-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxamide (CID 67162779) is N-(2-cyano-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxamide.
What is the SMILES notation for N-(2-cyano-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxamide?
The canonical SMILES for N-(2-cyano-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxamide is Cc1cc(-c2cc(F)cc(F)c2)nc(C(=O)Nc2ccnc(C#N)c2)n1.
What is the InChIKey of N-(2-cyano-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxamide?
The InChIKey is IHLDKOYGCBSAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N5O/c1-10-4-16(11-5-12(19)7-13(20)6-11)25-17(23-10)18(26)24-14-2-3-22-15(8-14)9-21/h2-8H,1H3,(H,22,24,26).
What are the key properties of N-(2-cyano-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxamide?
N-(2-cyano-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxamide has a molecular weight of 351.32 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-pyridinyl)-4-(3,5-difluorophenyl)-6-methylpyrimidine-2-carboxamide is sourced from PubChem (CID 67162779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).