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

C15H19N3O3 — CID 63615089

IUPAC2-[(1-cyclopropylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)NCC1CCN(C2CC2)C1
InChIInChI=1S/C15H19N3O3/c19-14(13-12(15(20)21)2-1-6-16-13)17-8-10-5-7-18(9-10)11-3-4-11/h1-2,6,10-11H,3-5,7-9H2,(H,17,19)(H,20,21)
InChIKeyYJYJEAXIBJPOKA-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.99
Rot. Bonds5

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

2-[(1-cyclopropylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 63615089) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[(1-cyclopropylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(1-cyclopropylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID63615089
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-[(1-cyclopropylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)NCC1CCN(C2CC2)C1
InChIInChI=1S/C15H19N3O3/c19-14(13-12(15(20)21)2-1-6-16-13)17-8-10-5-7-18(9-10)11-3-4-11/h1-2,6,10-11H,3-5,7-9H2,(H,17,19)(H,20,21)
InChIKeyYJYJEAXIBJPOKA-UHFFFAOYSA-N
XLogP0.99
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63616085
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 93422584
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-methylpyridine-2-carboxamide
CID 95189282
2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 113255193
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methyl-1-phenyltriazole-4-carboxamide
CID 138999013
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614750
6-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 61052814
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-ethylsulfinylbenzamide
CID 146085428
(2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 61180690
3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 134434405
2-cyano-N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]benzamide
CID 125155884
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxybenzamide
CID 47031179

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid (CID 63615089) is 2-[(1-cyclopropylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(1-cyclopropylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(1-cyclopropylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1C(=O)NCC1CCN(C2CC2)C1.
What is the InChIKey of 2-[(1-cyclopropylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is YJYJEAXIBJPOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-14(13-12(15(20)21)2-1-6-16-13)17-8-10-5-7-18(9-10)11-3-4-11/h1-2,6,10-11H,3-5,7-9H2,(H,17,19)(H,20,21).
What are the key properties of 2-[(1-cyclopropylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid?
2-[(1-cyclopropylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 289.33 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-cyclopropylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63615089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).