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

C15H21N3O3 — CID 63616085

IUPAC2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCC(C)N1CCC(CNC(=O)c2ncccc2C(=O)O)C1
InChIInChI=1S/C15H21N3O3/c1-10(2)18-7-5-11(9-18)8-17-14(19)13-12(15(20)21)4-3-6-16-13/h3-4,6,10-11H,5,7-9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyUZZYQMPRIAYKRE-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.24
Rot. Bonds5

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

2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 63616085) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID63616085
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCC(C)N1CCC(CNC(=O)c2ncccc2C(=O)O)C1
InChIInChI=1S/C15H21N3O3/c1-10(2)18-7-5-11(9-18)8-17-14(19)13-12(15(20)21)4-3-6-16-13/h3-4,6,10-11H,5,7-9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyUZZYQMPRIAYKRE-UHFFFAOYSA-N
XLogP1.24
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-cyclopropylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615089
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51090077
2-hydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51094816
2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 114344239
2-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 56716281
2-ethoxy-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide
CID 94799467
methyl 2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate
CID 62000295
2-amino-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 61207718
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-indazole-3-carboxamide
CID 60598271
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614750
3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 134434405
2-(5-methylhexan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614412

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid (CID 63616085) is 2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid is CC(C)N1CCC(CNC(=O)c2ncccc2C(=O)O)C1.
What is the InChIKey of 2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is UZZYQMPRIAYKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(2)18-7-5-11(9-18)8-17-14(19)13-12(15(20)21)4-3-6-16-13/h3-4,6,10-11H,5,7-9H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid?
2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63616085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).