4-methyl-N-[4-methyl-1-[(6-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]cyclohexane-1-carboxamide

C20H31N3O2 — CID 6621139

IUPAC4-methyl-N-[4-methyl-1-[(6-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]cyclohexane-1-carboxamide
SMILESCc1cccc(NC(=O)C(CC(C)C)NC(=O)C2CCC(C)CC2)n1
InChIInChI=1S/C20H31N3O2/c1-13(2)12-17(20(25)23-18-7-5-6-15(4)21-18)22-19(24)16-10-8-14(3)9-11-16/h5-7,13-14,16-17H,8-12H2,1-4H3,(H,22,24)(H,21,23,25)
InChIKeyKSKUTTJSSPOIQL-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.69
Rot. Bonds6

About 4-methyl-N-[4-methyl-1-[(6-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]cyclohexane-1-carboxamide

4-methyl-N-[4-methyl-1-[(6-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]cyclohexane-1-carboxamide (PubChem CID 6621139) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-methyl-N-[4-methyl-1-[(6-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-methyl-1-[(6-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]cyclohexane-1-carboxamide
PubChem CID6621139
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name4-methyl-N-[4-methyl-1-[(6-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]cyclohexane-1-carboxamide
SMILESCc1cccc(NC(=O)C(CC(C)C)NC(=O)C2CCC(C)CC2)n1
InChIInChI=1S/C20H31N3O2/c1-13(2)12-17(20(25)23-18-7-5-6-15(4)21-18)22-19(24)16-10-8-14(3)9-11-16/h5-7,13-14,16-17H,8-12H2,1-4H3,(H,22,24)(H,21,23,25)
InChIKeyKSKUTTJSSPOIQL-UHFFFAOYSA-N
XLogP3.69
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[4-methyl-1-[(6-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709
4-methyl-N-[(2S)-4-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]pentan-2-yl]cyclohexane-1-carboxamide
CID 7064725
N-[1-(3-ethylanilino)-4-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 22422552
N-[(2R,3S)-3-methyl-1-[(6-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 40932838
cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 95401115
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)pentanamide
CID 43016745
methyl 4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate
CID 79005645
N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopropanecarboxamide
CID 60776170
N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 22690147
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
N-[(2S)-4-methyl-1-[(4-methylcyclohexyl)amino]-1-oxopentan-2-yl]cyclohexanecarboxamide
CID 40516545
2-amino-N-(6-methyl-2-pyridinyl)propanamide
CID 60731757

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-methyl-1-[(6-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-[4-methyl-1-[(6-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]cyclohexane-1-carboxamide (CID 6621139) is 4-methyl-N-[4-methyl-1-[(6-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-methyl-1-[(6-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-[4-methyl-1-[(6-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]cyclohexane-1-carboxamide is Cc1cccc(NC(=O)C(CC(C)C)NC(=O)C2CCC(C)CC2)n1.
What is the InChIKey of 4-methyl-N-[4-methyl-1-[(6-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is KSKUTTJSSPOIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-13(2)12-17(20(25)23-18-7-5-6-15(4)21-18)22-19(24)16-10-8-14(3)9-11-16/h5-7,13-14,16-17H,8-12H2,1-4H3,(H,22,24)(H,21,23,25).
What are the key properties of 4-methyl-N-[4-methyl-1-[(6-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]cyclohexane-1-carboxamide?
4-methyl-N-[4-methyl-1-[(6-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-methyl-1-[(6-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 6621139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).