N-[[4-(aminomethyl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide

C15H23N3O2 — CID 126803241

IUPACN-[[4-(aminomethyl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)NCC2CCC(CN)CC2)ccc1=O
InChIInChI=1S/C15H23N3O2/c1-18-10-13(6-7-14(18)19)15(20)17-9-12-4-2-11(8-16)3-5-12/h6-7,10-12H,2-5,8-9,16H2,1H3,(H,17,20)
InChIKeyAJYNLDXOILHIAS-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.88
Rot. Bonds4

About N-[[4-(aminomethyl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide

N-[[4-(aminomethyl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 126803241) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID126803241
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)NCC2CCC(CN)CC2)ccc1=O
InChIInChI=1S/C15H23N3O2/c1-18-10-13(6-7-14(18)19)15(20)17-9-12-4-2-11(8-16)3-5-12/h6-7,10-12H,2-5,8-9,16H2,1H3,(H,17,20)
InChIKeyAJYNLDXOILHIAS-UHFFFAOYSA-N
XLogP0.88
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-(aminomethyl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide with MolForge

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Related Compounds

N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 97314958
N-(2-cyclohexyloxyethyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 75462004
N-[[4-[(R)-(cyclopropanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 98077259
N-(cyclopropylmethyl)-6-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide
CID 95834318
N-[[4-[(S)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 98077263
N-[(E)-but-2-enyl]-1-methyl-6-oxopyridine-3-carboxamide;ethane
CID 178011179
N-(cyclohexylmethyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 113221304
4-carbamothioyl-N-(cyclopropylmethyl)benzamide
CID 24690503
1-methyl-6-oxo-N-trimethylsilylpyridine-3-carboxamide
CID 610623
1-methyl-6-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyridine-3-carboxamide
CID 74246029
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid
CID 54926955
1-methyl-2-oxo-N-(piperidin-4-ylmethyl)pyridine-4-carboxamide
CID 103793623

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 126803241) is N-[[4-(aminomethyl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide is Cn1cc(C(=O)NCC2CCC(CN)CC2)ccc1=O.
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is AJYNLDXOILHIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18-10-13(6-7-14(18)19)15(20)17-9-12-4-2-11(8-16)3-5-12/h6-7,10-12H,2-5,8-9,16H2,1H3,(H,17,20).
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide?
N-[[4-(aminomethyl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 126803241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).