4-methyl-N-[[4-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide

C23H35N3O2 — CID 167992062

IUPAC4-methyl-N-[[4-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NCC2CCC(CNC(=O)Cc3cccnc3)CC2)CC1
InChIInChI=1S/C23H35N3O2/c1-17-4-10-21(11-5-17)23(28)26-16-19-8-6-18(7-9-19)15-25-22(27)13-20-3-2-12-24-14-20/h2-3,12,14,17-19,21H,4-11,13,15-16H2,1H3,(H,25,27)(H,26,28)
InChIKeyXNPGFARESTVZGN-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.49
Rot. Bonds7

About 4-methyl-N-[[4-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide

4-methyl-N-[[4-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide (PubChem CID 167992062) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 4-methyl-N-[[4-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[4-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide
PubChem CID167992062
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name4-methyl-N-[[4-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NCC2CCC(CNC(=O)Cc3cccnc3)CC2)CC1
InChIInChI=1S/C23H35N3O2/c1-17-4-10-21(11-5-17)23(28)26-16-19-8-6-18(7-9-19)15-25-22(27)13-20-3-2-12-24-14-20/h2-3,12,14,17-19,21H,4-11,13,15-16H2,1H3,(H,25,27)(H,26,28)
InChIKeyXNPGFARESTVZGN-UHFFFAOYSA-N
XLogP3.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[[4-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

N-[[4-[(S)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-pyridin-3-ylacetamide
CID 98136069
N-[[4-[dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-pyridin-3-ylacetamide
CID 110241959
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
4-methyl-N-[3-methyl-1-oxo-1-(pyridin-3-ylmethylamino)pentan-2-yl]cyclohexane-1-carboxamide
CID 3239858
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
4-(benzenesulfonamidomethyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 3444702
3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66032903
1-(4-butylcyclohexyl)-2-pyridin-3-ylethanone
CID 115798988
N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-1-(2-pyridin-3-ylacetyl)azetidin-2-yl]methyl]cyclopropanecarboxamide
CID 54651644
2-(4-methoxyphenyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16895811
1-(3-ethylcyclopentyl)-2-pyridin-3-ylethanone
CID 104735977

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-[[4-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide (CID 167992062) is 4-methyl-N-[[4-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[[4-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-[[4-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide is CC1CCC(C(=O)NCC2CCC(CNC(=O)Cc3cccnc3)CC2)CC1.
What is the InChIKey of 4-methyl-N-[[4-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is XNPGFARESTVZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-17-4-10-21(11-5-17)23(28)26-16-19-8-6-18(7-9-19)15-25-22(27)13-20-3-2-12-24-14-20/h2-3,12,14,17-19,21H,4-11,13,15-16H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 4-methyl-N-[[4-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide?
4-methyl-N-[[4-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 385.55 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 167992062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).