3-[(5-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid

C13H17N3O3 — CID 63042064

IUPAC3-[(5-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
SMILESNC(=O)c1ccc(NC2CCCC(C(=O)O)C2)nc1
InChIInChI=1S/C13H17N3O3/c14-12(17)9-4-5-11(15-7-9)16-10-3-1-2-8(6-10)13(18)19/h4-5,7-8,10H,1-3,6H2,(H2,14,17)(H,15,16)(H,18,19)
InChIKeyXELXEIVRJJWGFU-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.24
Rot. Bonds4

About 3-[(5-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid

3-[(5-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63042064) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[(5-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(5-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63042064
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-[(5-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
SMILESNC(=O)c1ccc(NC2CCCC(C(=O)O)C2)nc1
InChIInChI=1S/C13H17N3O3/c14-12(17)9-4-5-11(15-7-9)16-10-3-1-2-8(6-10)13(18)19/h4-5,7-8,10H,1-3,6H2,(H2,14,17)(H,15,16)(H,18,19)
InChIKeyXELXEIVRJJWGFU-UHFFFAOYSA-N
XLogP1.24
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(cyclopentylamino)pyridine-3-carboxamide
CID 112722808
6-(cyclohexylamino)pyridine-3-carboxamide;hydrochloride
CID 3031414
6-[(3-phenylcyclopentyl)amino]pyridine-3-carboxamide
CID 126962294
6-[(4-aminocyclohexyl)amino]pyridine-3-carboxamide
CID 58337929
3-[(6-chloropyridazin-3-yl)amino]cyclohexane-1-carboxylic acid
CID 63042065
cis-(1R,3S)-3-[(5-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 106322147
6-[[4-(aminomethyl)cyclohexyl]amino]pyridine-3-carboxamide
CID 112753159
6-[(2-hydroxycyclohexyl)amino]pyridine-3-carboxamide
CID 79033721
3-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid
CID 63044232
6-(cyclopentylamino)pyridine-3-carboxylic acid
CID 1447952
6-[(3-methylcyclopentyl)amino]pyridine-3-carbothioamide
CID 114546660
3-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentane-1-carboxylic acid
CID 66032182

Frequently Asked Questions

What is the IUPAC name of 3-[(5-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(5-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid (CID 63042064) is 3-[(5-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(5-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(5-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid is NC(=O)c1ccc(NC2CCCC(C(=O)O)C2)nc1.
What is the InChIKey of 3-[(5-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is XELXEIVRJJWGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-12(17)9-4-5-11(15-7-9)16-10-3-1-2-8(6-10)13(18)19/h4-5,7-8,10H,1-3,6H2,(H2,14,17)(H,15,16)(H,18,19).
What are the key properties of 3-[(5-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid?
3-[(5-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63042064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).