4-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid

C15H21N3O3 — CID 60809997

IUPAC4-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C)c1ccc(C(=O)NC2CCC(C(=O)O)CC2)cn1
InChIInChI=1S/C15H21N3O3/c1-18(2)13-8-5-11(9-16-13)14(19)17-12-6-3-10(4-7-12)15(20)21/h5,8-10,12H,3-4,6-7H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyFXMDDIVKJYWOIY-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.52
Rot. Bonds4

About 4-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 60809997) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID60809997
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C)c1ccc(C(=O)NC2CCC(C(=O)O)CC2)cn1
InChIInChI=1S/C15H21N3O3/c1-18(2)13-8-5-11(9-16-13)14(19)17-12-6-3-10(4-7-12)15(20)21/h5,8-10,12H,3-4,6-7H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyFXMDDIVKJYWOIY-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400603
N-cycloheptyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400820
6-(dimethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)pyridine-3-carboxamide
CID 86989964
trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318292
4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229777
6-(dimethylamino)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridine-3-carboxamide
CID 74243181
N-[2-(cycloheptylamino)ethyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 119620220
4-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229368
1-[6-(dimethylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 63007175
4-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808216
3-[6-(dimethylamino)-3-pyridinyl]-3-oxopropanoic acid
CID 151348465
cis-(1S,3R)-3-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675336

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 60809997) is 4-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid is CN(C)c1ccc(C(=O)NC2CCC(C(=O)O)CC2)cn1.
What is the InChIKey of 4-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is FXMDDIVKJYWOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-18(2)13-8-5-11(9-16-13)14(19)17-12-6-3-10(4-7-12)15(20)21/h5,8-10,12H,3-4,6-7H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 4-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60809997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).