N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide

C17H25N3O2 — CID 25134246

IUPACN-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide
SMILESCC(C)[C@H](NC(=O)C1CCCCC1)C(=O)Nc1ccncc1
InChIInChI=1S/C17H25N3O2/c1-12(2)15(17(22)19-14-8-10-18-11-9-14)20-16(21)13-6-4-3-5-7-13/h8-13,15H,3-7H2,1-2H3,(H,20,21)(H,18,19,22)/t15-/m0/s1
InChIKeyVYLDPSVXLWTIAJ-HNNXBMFYSA-N
MW303.41 g/mol
LogP2.74
Rot. Bonds5

About N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide

N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide (PubChem CID 25134246) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide
PubChem CID25134246
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide
SMILESCC(C)[C@H](NC(=O)C1CCCCC1)C(=O)Nc1ccncc1
InChIInChI=1S/C17H25N3O2/c1-12(2)15(17(22)19-14-8-10-18-11-9-14)20-16(21)13-6-4-3-5-7-13/h8-13,15H,3-7H2,1-2H3,(H,20,21)(H,18,19,22)/t15-/m0/s1
InChIKeyVYLDPSVXLWTIAJ-HNNXBMFYSA-N
XLogP2.74
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ximelegatran
CID 448042
CR665
CID 25030387
N-(4-pyridyl)benzamide
CID 78893
Y-27632 dihydrochloride
CID 9901617
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(pyridin-4-yl)phenyl]ethyl]amino}pentanamide
CID 10194354
N-(2-(Pyridin-2-yl)ethyl)-3-p-menthanecarboxamide
CID 56969824
4-Methyl-N-4-pyridinylbenzamide
CID 84517
(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one
CID 23646451
2-phenyl-N-(pyridin-4-yl)butanamide
CID 427060
WF-536 Hydrochloride
CID 9860439
Octanedioic acid hydroxyamide pyridin-4-ylamide
CID 10967421
4,4-Diphenyl-N-(pyridin-3-yl)-butyramide
CID 11976417

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide (CID 25134246) is N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide is CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)Nc1ccncc1.
What is the InChIKey of N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide?
The InChIKey is VYLDPSVXLWTIAJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(2)15(17(22)19-14-8-10-18-11-9-14)20-16(21)13-6-4-3-5-7-13/h8-13,15H,3-7H2,1-2H3,(H,20,21)(H,18,19,22)/t15-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide?
N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.74, 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-oxo-1-(pyridin-4-ylamino)butan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 25134246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).