N-cyclohexyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide

C18H22N4O — CID 109182931

IUPACN-cyclohexyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(NCc2ccccn2)cn1
InChIInChI=1S/C18H22N4O/c23-18(22-14-6-2-1-3-7-14)17-10-9-16(13-21-17)20-12-15-8-4-5-11-19-15/h4-5,8-11,13-14,20H,1-3,6-7,12H2,(H,22,23)
InChIKeyBRGKBSPSALPJOE-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.15
Rot. Bonds5

About N-cyclohexyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide

N-cyclohexyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109182931) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-cyclohexyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
PubChem CID109182931
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-cyclohexyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(NCc2ccccn2)cn1
InChIInChI=1S/C18H22N4O/c23-18(22-14-6-2-1-3-7-14)17-10-9-16(13-21-17)20-12-15-8-4-5-11-19-15/h4-5,8-11,13-14,20H,1-3,6-7,12H2,(H,22,23)
InChIKeyBRGKBSPSALPJOE-UHFFFAOYSA-N
XLogP3.15
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120685
N-cyclohexyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109298801
N-cyclohexyl-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109182916
N-(4-piperidin-1-ylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191130
piperidin-1-yl-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]methanone
CID 109182557
N-benzyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109187835
N-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191075
5-[(2-chlorophenyl)methylamino]-N-cyclopropylpyridine-2-carboxamide
CID 109179863
5-(cyclohexylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179840
N-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide
CID 109195288
N-(3-acetamidophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191121
N-(3-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191093

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-cyclohexyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide (CID 109182931) is N-cyclohexyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide is O=C(NC1CCCCC1)c1ccc(NCc2ccccn2)cn1.
What is the InChIKey of N-cyclohexyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is BRGKBSPSALPJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(22-14-6-2-1-3-7-14)17-10-9-16(13-21-17)20-12-15-8-4-5-11-19-15/h4-5,8-11,13-14,20H,1-3,6-7,12H2,(H,22,23).
What are the key properties of N-cyclohexyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
N-cyclohexyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109182931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).