N-cyclopentyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

C16H19N5O — CID 109298065

IUPACN-cyclopentyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(NC1CCCC1)c1ccnc(NCc2ccncc2)n1
InChIInChI=1S/C16H19N5O/c22-15(20-13-3-1-2-4-13)14-7-10-18-16(21-14)19-11-12-5-8-17-9-6-12/h5-10,13H,1-4,11H2,(H,20,22)(H,18,19,21)
InChIKeyHCUNPIBCRIFWNL-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.16
Rot. Bonds5

About N-cyclopentyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

N-cyclopentyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109298065) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-cyclopentyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109298065
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-cyclopentyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(NC1CCCC1)c1ccnc(NCc2ccncc2)n1
InChIInChI=1S/C16H19N5O/c22-15(20-13-3-1-2-4-13)14-7-10-18-16(21-14)19-11-12-5-8-17-9-6-12/h5-10,13H,1-4,11H2,(H,20,22)(H,18,19,21)
InChIKeyHCUNPIBCRIFWNL-UHFFFAOYSA-N
XLogP2.16
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307486
2-(benzylamino)-N-cycloheptylpyrimidine-4-carboxamide
CID 109303634
N-(1,1-dioxothiolan-3-yl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307464
N-cyclopentyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109294728
N-cyclohexyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109298801
2-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyrimidine-4-carboxamide
CID 109298799
N-cycloheptyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299667
N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311427
N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298589
N-cyclohexyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109298788
N-cyclopentyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109298072
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109298111

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (CID 109298065) is N-cyclopentyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is O=C(NC1CCCC1)c1ccnc(NCc2ccncc2)n1.
What is the InChIKey of N-cyclopentyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is HCUNPIBCRIFWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c22-15(20-13-3-1-2-4-13)14-7-10-18-16(21-14)19-11-12-5-8-17-9-6-12/h5-10,13H,1-4,11H2,(H,20,22)(H,18,19,21).
What are the key properties of N-cyclopentyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
N-cyclopentyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109298065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).