2-(2-cyanoanilino)-N-cyclopropylpyrimidine-4-carboxamide

C15H13N5O — CID 109295903

IUPAC2-(2-cyanoanilino)-N-cyclopropylpyrimidine-4-carboxamide
SMILESN#Cc1ccccc1Nc1nccc(C(=O)NC2CC2)n1
InChIInChI=1S/C15H13N5O/c16-9-10-3-1-2-4-12(10)19-15-17-8-7-13(20-15)14(21)18-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,18,21)(H,17,19,20)
InChIKeyHNYIYSVIODYMAV-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.98
Rot. Bonds4

About 2-(2-cyanoanilino)-N-cyclopropylpyrimidine-4-carboxamide

2-(2-cyanoanilino)-N-cyclopropylpyrimidine-4-carboxamide (PubChem CID 109295903) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(2-cyanoanilino)-N-cyclopropylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyanoanilino)-N-cyclopropylpyrimidine-4-carboxamide
PubChem CID109295903
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name2-(2-cyanoanilino)-N-cyclopropylpyrimidine-4-carboxamide
SMILESN#Cc1ccccc1Nc1nccc(C(=O)NC2CC2)n1
InChIInChI=1S/C15H13N5O/c16-9-10-3-1-2-4-12(10)19-15-17-8-7-13(20-15)14(21)18-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,18,21)(H,17,19,20)
InChIKeyHNYIYSVIODYMAV-UHFFFAOYSA-N
XLogP1.98
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109295853
N-butyl-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109296685
2-(2-cyanoanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316079
N-cyclopentyl-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109298132
N-(3-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109317101
N-(3-chloro-4-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109317314
2-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303579
6-(2-cyanoanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851948
2-[[4-(4-benzylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile
CID 109312457
2-(4-chloroanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
CID 109316972
N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109318638
N-(2-cyanophenyl)-2-(propylamino)pyrimidine-4-carboxamide
CID 109294912

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoanilino)-N-cyclopropylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2-cyanoanilino)-N-cyclopropylpyrimidine-4-carboxamide (CID 109295903) is 2-(2-cyanoanilino)-N-cyclopropylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-cyanoanilino)-N-cyclopropylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-cyanoanilino)-N-cyclopropylpyrimidine-4-carboxamide is N#Cc1ccccc1Nc1nccc(C(=O)NC2CC2)n1.
What is the InChIKey of 2-(2-cyanoanilino)-N-cyclopropylpyrimidine-4-carboxamide?
The InChIKey is HNYIYSVIODYMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c16-9-10-3-1-2-4-12(10)19-15-17-8-7-13(20-15)14(21)18-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,18,21)(H,17,19,20).
What are the key properties of 2-(2-cyanoanilino)-N-cyclopropylpyrimidine-4-carboxamide?
2-(2-cyanoanilino)-N-cyclopropylpyrimidine-4-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoanilino)-N-cyclopropylpyrimidine-4-carboxamide is sourced from PubChem (CID 109295903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).