5-[(4-ethylpiperidine-2-carbonyl)amino]pyridine-3-carboxylic acid

C14H19N3O3 — CID 114428994

IUPAC5-[(4-ethylpiperidine-2-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCCC1CCNC(C(=O)Nc2cncc(C(=O)O)c2)C1
InChIInChI=1S/C14H19N3O3/c1-2-9-3-4-16-12(5-9)13(18)17-11-6-10(14(19)20)7-15-8-11/h6-9,12,16H,2-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyAPAXDXJSWFTZLN-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.50
Rot. Bonds4

About 5-[(4-ethylpiperidine-2-carbonyl)amino]pyridine-3-carboxylic acid

5-[(4-ethylpiperidine-2-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 114428994) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-[(4-ethylpiperidine-2-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-ethylpiperidine-2-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID114428994
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-[(4-ethylpiperidine-2-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCCC1CCNC(C(=O)Nc2cncc(C(=O)O)c2)C1
InChIInChI=1S/C14H19N3O3/c1-2-9-3-4-16-12(5-9)13(18)17-11-6-10(14(19)20)7-15-8-11/h6-9,12,16H,2-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyAPAXDXJSWFTZLN-UHFFFAOYSA-N
XLogP1.50
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2R)-piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid
CID 104913917
5-[(4-ethylpiperidine-2-carbonyl)amino]-2-methylbenzoic acid
CID 114429036
3-[(4-ethylpiperidine-2-carbonyl)amino]-4-fluorobenzoic acid
CID 114428301
N-[6-(dimethylamino)-3-pyridinyl]-4-ethylpiperidine-2-carboxamide
CID 114428224
4-ethyl-N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 114428947
4-ethyl-N-(2,4,6-trichlorophenyl)piperidine-2-carboxamide
CID 114428009
5-[(3-ethylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157800
2-[(4-ethylpiperidine-2-carbonyl)amino]-5-iodobenzoic acid
CID 114428983
4-bromo-2-[(4-ethylpiperidine-2-carbonyl)amino]benzoic acid
CID 114428674
4-ethyl-N-(5-fluoro-2-pyridinyl)piperidine-2-carboxamide
CID 114429180
N-(4-carbamoyl-3-chlorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114428317
4-ethyl-N-(3-fluoro-4-methoxyphenyl)piperidine-2-carboxamide
CID 114428053

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylpiperidine-2-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(4-ethylpiperidine-2-carbonyl)amino]pyridine-3-carboxylic acid (CID 114428994) is 5-[(4-ethylpiperidine-2-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(4-ethylpiperidine-2-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(4-ethylpiperidine-2-carbonyl)amino]pyridine-3-carboxylic acid is CCC1CCNC(C(=O)Nc2cncc(C(=O)O)c2)C1.
What is the InChIKey of 5-[(4-ethylpiperidine-2-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is APAXDXJSWFTZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-9-3-4-16-12(5-9)13(18)17-11-6-10(14(19)20)7-15-8-11/h6-9,12,16H,2-5H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[(4-ethylpiperidine-2-carbonyl)amino]pyridine-3-carboxylic acid?
5-[(4-ethylpiperidine-2-carbonyl)amino]pyridine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylpiperidine-2-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114428994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).