2-(3-cyanoanilino)-N-cyclopentylpyrimidine-5-carboxamide

C17H17N5O — CID 109249705

IUPAC2-(3-cyanoanilino)-N-cyclopentylpyrimidine-5-carboxamide
SMILESN#Cc1cccc(Nc2ncc(C(=O)NC3CCCC3)cn2)c1
InChIInChI=1S/C17H17N5O/c18-9-12-4-3-7-15(8-12)22-17-19-10-13(11-20-17)16(23)21-14-5-1-2-6-14/h3-4,7-8,10-11,14H,1-2,5-6H2,(H,21,23)(H,19,20,22)
InChIKeyYPPVDHANMHWKIS-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.76
Rot. Bonds4

About 2-(3-cyanoanilino)-N-cyclopentylpyrimidine-5-carboxamide

2-(3-cyanoanilino)-N-cyclopentylpyrimidine-5-carboxamide (PubChem CID 109249705) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-(3-cyanoanilino)-N-cyclopentylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-cyanoanilino)-N-cyclopentylpyrimidine-5-carboxamide
PubChem CID109249705
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name2-(3-cyanoanilino)-N-cyclopentylpyrimidine-5-carboxamide
SMILESN#Cc1cccc(Nc2ncc(C(=O)NC3CCCC3)cn2)c1
InChIInChI=1S/C17H17N5O/c18-9-12-4-3-7-15(8-12)22-17-19-10-13(11-20-17)16(23)21-14-5-1-2-6-14/h3-4,7-8,10-11,14H,1-2,5-6H2,(H,21,23)(H,19,20,22)
InChIKeyYPPVDHANMHWKIS-UHFFFAOYSA-N
XLogP2.76
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyanoanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250453
2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250380
2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide
CID 109263115
N-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109249645
N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109263127
2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252493
N-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109263138
2-(3-acetylanilino)-N-cyclopropylpyrimidine-5-carboxamide
CID 109247399
N-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109263097
N-cyclopentyl-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109249710
2-(3-cyanoanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267947
1-[4-(3-cyanoanilino)phenyl]-3-cyclohexylurea
CID 112989973

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoanilino)-N-cyclopentylpyrimidine-5-carboxamide?
The IUPAC name of 2-(3-cyanoanilino)-N-cyclopentylpyrimidine-5-carboxamide (CID 109249705) is 2-(3-cyanoanilino)-N-cyclopentylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-cyanoanilino)-N-cyclopentylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-cyanoanilino)-N-cyclopentylpyrimidine-5-carboxamide is N#Cc1cccc(Nc2ncc(C(=O)NC3CCCC3)cn2)c1.
What is the InChIKey of 2-(3-cyanoanilino)-N-cyclopentylpyrimidine-5-carboxamide?
The InChIKey is YPPVDHANMHWKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c18-9-12-4-3-7-15(8-12)22-17-19-10-13(11-20-17)16(23)21-14-5-1-2-6-14/h3-4,7-8,10-11,14H,1-2,5-6H2,(H,21,23)(H,19,20,22).
What are the key properties of 2-(3-cyanoanilino)-N-cyclopentylpyrimidine-5-carboxamide?
2-(3-cyanoanilino)-N-cyclopentylpyrimidine-5-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoanilino)-N-cyclopentylpyrimidine-5-carboxamide is sourced from PubChem (CID 109249705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).