2-(4-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide

C18H11F2N5O — CID 109318827

IUPAC2-(4-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
SMILESN#Cc1ccc(Nc2nccc(C(=O)Nc3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C18H11F2N5O/c19-14-6-5-13(9-15(14)20)23-17(26)16-7-8-22-18(25-16)24-12-3-1-11(10-21)2-4-12/h1-9H,(H,23,26)(H,22,24,25)
InChIKeyFSNZDGPXAWJOST-UHFFFAOYSA-N
MW351.32 g/mol
LogP3.62
Rot. Bonds4

About 2-(4-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide

2-(4-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide (PubChem CID 109318827) has the molecular formula C18H11F2N5O and a molecular weight of 351.32 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
PubChem CID109318827
Molecular FormulaC18H11F2N5O
Molecular Weight351.32 g/mol
Exact Mass351.09
IUPAC Name2-(4-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
SMILESN#Cc1ccc(Nc2nccc(C(=O)Nc3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C18H11F2N5O/c19-14-6-5-13(9-15(14)20)23-17(26)16-7-8-22-18(25-16)24-12-3-1-11(10-21)2-4-12/h1-9H,(H,23,26)(H,22,24,25)
InChIKeyFSNZDGPXAWJOST-UHFFFAOYSA-N
XLogP3.62
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyanophenyl)-2-(3,5-dichloroanilino)pyrimidine-4-carboxamide
CID 109318737
2-(4-acetylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109318223
2-(4-tert-butylanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109316405
N-(3,4-difluorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109315178
2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109318102
2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109317340
N-(2-cyanophenyl)-2-(3,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109318808
N-(3,4-difluorophenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109318006
N-(4-tert-butylphenyl)-2-(3,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109316431
2-(4-cyanoanilino)-N-[4-(4-fluorophenyl)-3-pyridinyl]pyrimidine-4-carboxamide
CID 134556469
2-(4-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109318438
N-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109318088

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide (CID 109318827) is 2-(4-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide is N#Cc1ccc(Nc2nccc(C(=O)Nc3ccc(F)c(F)c3)n2)cc1.
What is the InChIKey of 2-(4-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is FSNZDGPXAWJOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N5O/c19-14-6-5-13(9-15(14)20)23-17(26)16-7-8-22-18(25-16)24-12-3-1-11(10-21)2-4-12/h1-9H,(H,23,26)(H,22,24,25).
What are the key properties of 2-(4-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide?
2-(4-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 351.32 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109318827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).