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

C17H21N5O — CID 109298801

IUPACN-cyclohexyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1ccnc(NCc2ccccn2)n1
InChIInChI=1S/C17H21N5O/c23-16(21-13-6-2-1-3-7-13)15-9-11-19-17(22-15)20-12-14-8-4-5-10-18-14/h4-5,8-11,13H,1-3,6-7,12H2,(H,21,23)(H,19,20,22)
InChIKeyLCSKBRAFXMAQLH-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.55
Rot. Bonds5

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

N-cyclohexyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109298801) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-cyclohexyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109298801
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-cyclohexyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1ccnc(NCc2ccccn2)n1
InChIInChI=1S/C17H21N5O/c23-16(21-13-6-2-1-3-7-13)15-9-11-19-17(22-15)20-12-14-8-4-5-10-18-14/h4-5,8-11,13H,1-3,6-7,12H2,(H,21,23)(H,19,20,22)
InChIKeyLCSKBRAFXMAQLH-UHFFFAOYSA-N
XLogP2.55
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzylamino)-N-cycloheptylpyrimidine-4-carboxamide
CID 109303634
N-cyclohexyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109298788
N-cyclohexyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109182931
N-cycloheptyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307486
N-cycloheptyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120685
N-cyclopentyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109298065
N-cyclopentyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109294728
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
6-N-cyclopropyl-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109093842
N-cyclopropyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109295735

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109298801) is N-cyclohexyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is O=C(NC1CCCCC1)c1ccnc(NCc2ccccn2)n1.
What is the InChIKey of N-cyclohexyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is LCSKBRAFXMAQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c23-16(21-13-6-2-1-3-7-13)15-9-11-19-17(22-15)20-12-14-8-4-5-10-18-14/h4-5,8-11,13H,1-3,6-7,12H2,(H,21,23)(H,19,20,22).
What are the key properties of N-cyclohexyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
N-cyclohexyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109298801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).