1-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid

C15H21N3O3 — CID 43169367

IUPAC1-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C)c1ccc(C(=O)NC2(C(=O)O)CCCCC2)cn1
InChIInChI=1S/C15H21N3O3/c1-18(2)12-7-6-11(10-16-12)13(19)17-15(14(20)21)8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyLOHVPCPHBBAZNA-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.66
Rot. Bonds4

About 1-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid

1-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 43169367) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID43169367
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C)c1ccc(C(=O)NC2(C(=O)O)CCCCC2)cn1
InChIInChI=1S/C15H21N3O3/c1-18(2)12-7-6-11(10-16-12)13(19)17-15(14(20)21)8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyLOHVPCPHBBAZNA-UHFFFAOYSA-N
XLogP1.66
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81158696
N-cyclooctyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400603
N-cycloheptyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400820
6-(dimethylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 80707921
1-[(6-cyclopentyloxypyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120515066
6-(dimethylamino)-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-carboxamide
CID 111445550
1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341634
1-[(2-methylpyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 106752503
1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341636
6-(diethylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide
CID 86847937
1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 45427620
1-[(4-methylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351071

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 43169367) is 1-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid is CN(C)c1ccc(C(=O)NC2(C(=O)O)CCCCC2)cn1.
What is the InChIKey of 1-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is LOHVPCPHBBAZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-18(2)12-7-6-11(10-16-12)13(19)17-15(14(20)21)8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 1-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
1-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43169367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).