N-[(2S)-3-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide

C18H27N3O2 — CID 6940732

IUPACN-[(2S)-3-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCc1ccnc(NC(=O)[C@@H](NC(=O)C2CCCCC2)C(C)C)c1
InChIInChI=1S/C18H27N3O2/c1-12(2)16(21-17(22)14-7-5-4-6-8-14)18(23)20-15-11-13(3)9-10-19-15/h9-12,14,16H,4-8H2,1-3H3,(H,21,22)(H,19,20,23)/t16-/m0/s1
InChIKeyIUIWCUHBSZDXIF-INIZCTEOSA-N
MW317.43 g/mol
LogP3.05
Rot. Bonds5

About N-[(2S)-3-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide

N-[(2S)-3-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide (PubChem CID 6940732) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide
PubChem CID6940732
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[(2S)-3-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCc1ccnc(NC(=O)[C@@H](NC(=O)C2CCCCC2)C(C)C)c1
InChIInChI=1S/C18H27N3O2/c1-12(2)16(21-17(22)14-7-5-4-6-8-14)18(23)20-15-11-13(3)9-10-19-15/h9-12,14,16H,4-8H2,1-3H3,(H,21,22)(H,19,20,23)/t16-/m0/s1
InChIKeyIUIWCUHBSZDXIF-INIZCTEOSA-N
XLogP3.05
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 46429748
2-hydroxy-N-(4-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 110014122
2-(methylamino)-N-(4-methyl-2-pyridinyl)propanamide
CID 62639101
2-methoxy-N-(4-methyl-2-pyridinyl)propanamide
CID 170104902
1-[2-(benzylcarbamoylamino)-3-methylbutanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55992027
N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 166182865
3-methyl-N-(4-methyl-2-pyridinyl)piperidine-2-carboxamide
CID 107067167
2-amino-N-(4-methyl-2-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120796743
N-[3-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 24610805
tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 41083455
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoate
CID 42027952
N-(4-methyl-2-pyridinyl)azepane-1-carboxamide
CID 127514123

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(2S)-3-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide (CID 6940732) is N-[(2S)-3-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2S)-3-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide is Cc1ccnc(NC(=O)[C@@H](NC(=O)C2CCCCC2)C(C)C)c1.
What is the InChIKey of N-[(2S)-3-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide?
The InChIKey is IUIWCUHBSZDXIF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-12(2)16(21-17(22)14-7-5-4-6-8-14)18(23)20-15-11-13(3)9-10-19-15/h9-12,14,16H,4-8H2,1-3H3,(H,21,22)(H,19,20,23)/t16-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide?
N-[(2S)-3-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide has a molecular weight of 317.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxobutan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 6940732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).