4-[(4-aminocyclohexyl)methylamino]-N-methylpyridine-2-carboxamide

C14H22N4O — CID 106129174

IUPAC4-[(4-aminocyclohexyl)methylamino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(NCC2CCC(N)CC2)ccn1
InChIInChI=1S/C14H22N4O/c1-16-14(19)13-8-12(6-7-17-13)18-9-10-2-4-11(15)5-3-10/h6-8,10-11H,2-5,9,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyOHDPBVVFPLGWSS-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.37
Rot. Bonds4

About 4-[(4-aminocyclohexyl)methylamino]-N-methylpyridine-2-carboxamide

4-[(4-aminocyclohexyl)methylamino]-N-methylpyridine-2-carboxamide (PubChem CID 106129174) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)methylamino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)methylamino]-N-methylpyridine-2-carboxamide
PubChem CID106129174
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-[(4-aminocyclohexyl)methylamino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(NCC2CCC(N)CC2)ccn1
InChIInChI=1S/C14H22N4O/c1-16-14(19)13-8-12(6-7-17-13)18-9-10-2-4-11(15)5-3-10/h6-8,10-11H,2-5,9,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyOHDPBVVFPLGWSS-UHFFFAOYSA-N
XLogP1.37
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-aminocyclobutyl)methylamino]-N-methylpyridine-2-carboxamide
CID 66006288
4-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79526015
4-(3-cyclopentylpropylamino)-N-methylpyridine-2-carboxamide
CID 106012735
4-(2-cyclohexyloxyethylamino)-N-methylpyridine-2-carboxamide
CID 63828258
4-[3-(cyclopropylamino)propylamino]-N-methylpyridine-2-carboxamide
CID 43599645
N-methyl-4-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxamide
CID 114516067
4-[(4-aminocyclohexyl)-methylamino]-N-methylpyridine-2-carboxamide
CID 79116085
4-(cyclopentylmethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43517479
4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 43517715
N-(cyclobutylmethyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62167949
methyl 4-(piperidin-4-ylmethylamino)pyridine-2-carboxylate
CID 66285903
4-[(4-aminophenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 60874908

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclohexyl)methylamino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[(4-aminocyclohexyl)methylamino]-N-methylpyridine-2-carboxamide (CID 106129174) is 4-[(4-aminocyclohexyl)methylamino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(4-aminocyclohexyl)methylamino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[(4-aminocyclohexyl)methylamino]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(NCC2CCC(N)CC2)ccn1.
What is the InChIKey of 4-[(4-aminocyclohexyl)methylamino]-N-methylpyridine-2-carboxamide?
The InChIKey is OHDPBVVFPLGWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-16-14(19)13-8-12(6-7-17-13)18-9-10-2-4-11(15)5-3-10/h6-8,10-11H,2-5,9,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-[(4-aminocyclohexyl)methylamino]-N-methylpyridine-2-carboxamide?
4-[(4-aminocyclohexyl)methylamino]-N-methylpyridine-2-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexyl)methylamino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 106129174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).