4-ethyl-1-[(6-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C16H22N2O3 — CID 43341548

IUPAC4-ethyl-1-[(6-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)c2ccc(C)nc2)(C(=O)O)CC1
InChIInChI=1S/C16H22N2O3/c1-3-12-6-8-16(9-7-12,15(20)21)18-14(19)13-5-4-11(2)17-10-13/h4-5,10,12H,3,6-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyRWTIVIHWBYTGSX-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.54
Rot. Bonds4

About 4-ethyl-1-[(6-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

4-ethyl-1-[(6-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 43341548) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-ethyl-1-[(6-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(6-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID43341548
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-ethyl-1-[(6-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)c2ccc(C)nc2)(C(=O)O)CC1
InChIInChI=1S/C16H22N2O3/c1-3-12-6-8-16(9-7-12,15(20)21)18-14(19)13-5-4-11(2)17-10-13/h4-5,10,12H,3,6-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyRWTIVIHWBYTGSX-UHFFFAOYSA-N
XLogP2.54
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Alanine, N-(2-chloronicotinoyl)-3-phenyl-
CID 53560
6-Methyl-N-[3-(3-methyl-benzoylamino)-propyl]-nicotinamide
CID 6498646
6-Methyl-N-[3-(4-methyl-benzoylamino)-propyl]-nicotinamide
CID 6498647
6-Methyl-N-(3-phenylacetylamino-propyl)-nicotinamide
CID 6498664
{trans-4-[4-(6-Carbamoyl-3-methylpyrazin-2-yl)phenyl]cyclohexyl}acetic acid
CID 44126032
(E)-7-{4-[1-(4-Cyclohexyl-butylcarbamoyl)-vinylcarbamoyl]-phenyl}-7-pyridin-3-yl-hept-6-enoic acid
CID 44366527
2-[4-[4-(6-Carbamoyl-5-methylpyrazin-2-yl)phenyl]cyclohexyl]acetic acid
CID 57992039
N-(pyridin-3-ylcarbonyl)valine
CID 299354
(2S)-2-[[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-3-[4-[(pyridine-3-carbonylamino)methyl]phenyl]propanoic acid
CID 44376546
(2R)-2-(2-(3-butylpicolinamido)-4-mercaptobutanamido)-3-phenylpropanoic acid
CID 44416865
(2R)-2-(2-(3-butylpicolinamido)-3-mercaptopropanamido)-3-phenylpropanoic acid
CID 44416882
6-methyl-N-{2-[(phenylacetyl)amino]ethyl}nicotinamide
CID 6498633

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(6-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(6-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 43341548) is 4-ethyl-1-[(6-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(6-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(6-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)c2ccc(C)nc2)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-[(6-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is RWTIVIHWBYTGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-12-6-8-16(9-7-12,15(20)21)18-14(19)13-5-4-11(2)17-10-13/h4-5,10,12H,3,6-9H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-ethyl-1-[(6-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-ethyl-1-[(6-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(6-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43341548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).