2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid

C14H19N3O3 — CID 63614750

IUPAC2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCCN1CCCC1CNC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C14H19N3O3/c1-2-17-8-4-5-10(17)9-16-13(18)12-11(14(19)20)6-3-7-15-12/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,16,18)(H,19,20)
InChIKeyNFBHSXANNNKNKS-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.99
Rot. Bonds5

About 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid

2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 63614750) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID63614750
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCCN1CCCC1CNC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C14H19N3O3/c1-2-17-8-4-5-10(17)9-16-13(18)12-11(14(19)20)6-3-7-15-12/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,16,18)(H,19,20)
InChIKeyNFBHSXANNNKNKS-UHFFFAOYSA-N
XLogP0.99
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide
CID 107358520
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62165371
3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 94018036
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 92706241
3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 43109626
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 71304903
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide
CID 94017739
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 40900290
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxybenzamide
CID 52947113
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62165372
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid (CID 63614750) is 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid is CCN1CCCC1CNC(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is NFBHSXANNNKNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-17-8-4-5-10(17)9-16-13(18)12-11(14(19)20)6-3-7-15-12/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid?
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63614750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).