2-(4-cyanoanilino)-N-cyclohexylpyrimidine-5-carboxamide

C18H19N5O — CID 109250453

IUPAC2-(4-cyanoanilino)-N-cyclohexylpyrimidine-5-carboxamide
SMILESN#Cc1ccc(Nc2ncc(C(=O)NC3CCCCC3)cn2)cc1
InChIInChI=1S/C18H19N5O/c19-10-13-6-8-16(9-7-13)23-18-20-11-14(12-21-18)17(24)22-15-4-2-1-3-5-15/h6-9,11-12,15H,1-5H2,(H,22,24)(H,20,21,23)
InChIKeyZHHJCOCTCHLIPV-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.15
Rot. Bonds4

About 2-(4-cyanoanilino)-N-cyclohexylpyrimidine-5-carboxamide

2-(4-cyanoanilino)-N-cyclohexylpyrimidine-5-carboxamide (PubChem CID 109250453) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-cyclohexylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-cyclohexylpyrimidine-5-carboxamide
PubChem CID109250453
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-(4-cyanoanilino)-N-cyclohexylpyrimidine-5-carboxamide
SMILESN#Cc1ccc(Nc2ncc(C(=O)NC3CCCCC3)cn2)cc1
InChIInChI=1S/C18H19N5O/c19-10-13-6-8-16(9-7-13)23-18-20-11-14(12-21-18)17(24)22-15-4-2-1-3-5-15/h6-9,11-12,15H,1-5H2,(H,22,24)(H,20,21,23)
InChIKeyZHHJCOCTCHLIPV-UHFFFAOYSA-N
XLogP3.15
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyanoanilino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249705
N-(4-cyanophenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109250637
5-(4-cyanoanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109183058
N-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109263102
N-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109263097
4-[[5-(piperidine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile
CID 109250082
N-cyclopentyl-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109249710
N-tert-butyl-2-(4-cyanoanilino)pyrimidine-5-carboxamide
CID 109262951
2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250380
2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide
CID 109263115
2-(4-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109270322
2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252849

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-cyclohexylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-cyanoanilino)-N-cyclohexylpyrimidine-5-carboxamide (CID 109250453) is 2-(4-cyanoanilino)-N-cyclohexylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-cyclohexylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-cyclohexylpyrimidine-5-carboxamide is N#Cc1ccc(Nc2ncc(C(=O)NC3CCCCC3)cn2)cc1.
What is the InChIKey of 2-(4-cyanoanilino)-N-cyclohexylpyrimidine-5-carboxamide?
The InChIKey is ZHHJCOCTCHLIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c19-10-13-6-8-16(9-7-13)23-18-20-11-14(12-21-18)17(24)22-15-4-2-1-3-5-15/h6-9,11-12,15H,1-5H2,(H,22,24)(H,20,21,23).
What are the key properties of 2-(4-cyanoanilino)-N-cyclohexylpyrimidine-5-carboxamide?
2-(4-cyanoanilino)-N-cyclohexylpyrimidine-5-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.15, 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-cyclohexylpyrimidine-5-carboxamide is sourced from PubChem (CID 109250453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).