3-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid

C14H13N5O3 — CID 118980798

IUPAC3-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid
SMILESN#Cc1ccc2nc(NC(=O)C3CCN(C(=O)O)C3)cn2c1
InChIInChI=1S/C14H13N5O3/c15-5-9-1-2-12-16-11(8-19(12)6-9)17-13(20)10-3-4-18(7-10)14(21)22/h1-2,6,8,10H,3-4,7H2,(H,17,20)(H,21,22)
InChIKeyCWXCQHLZVAYUSV-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.14
Rot. Bonds2

About 3-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid

3-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid (PubChem CID 118980798) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 3-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid
PubChem CID118980798
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC Name3-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid
SMILESN#Cc1ccc2nc(NC(=O)C3CCN(C(=O)O)C3)cn2c1
InChIInChI=1S/C14H13N5O3/c15-5-9-1-2-12-16-11(8-19(12)6-9)17-13(20)10-3-4-18(7-10)14(21)22/h1-2,6,8,10H,3-4,7H2,(H,17,20)(H,21,22)
InChIKeyCWXCQHLZVAYUSV-UHFFFAOYSA-N
XLogP1.14
TPSA110.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-[[6-(5-methyl-1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 118980831
N-(6-cyanoimidazo[1,2-a]pyridin-2-yl)-2,2-dimethylpropanamide
CID 141319142
tert-butyl (3S)-3-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 141485083
N-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)cyclopropanecarboxamide
CID 58158532
(3S)-1-cyano-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide
CID 118981293
6-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid;hydrobromide
CID 175367606
(3S)-1-cyano-N-[6-(3,6-dimethoxypyridazin-4-yl)imidazo[1,2-a]pyridin-2-yl]pyrrolidine-3-carboxamide
CID 118980667
methyl 1-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-3-carboxylate
CID 59251668
N-(4-cyano-6-methyl-2-pyridinyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 167786103
tert-butyl (3S)-3-[[2-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)amino]pyridine-4-carbonyl]amino]pyrrolidine-1-carboxylate
CID 90121756
2-[(6-iodoimidazo[1,2-a]pyridin-2-yl)carbamoyl]azetidine-1-carboxylic acid
CID 68570894
(3S)-3-[(6-carbamoylisoquinolin-3-yl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 118980630

Frequently Asked Questions

What is the IUPAC name of 3-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid (CID 118980798) is 3-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid is N#Cc1ccc2nc(NC(=O)C3CCN(C(=O)O)C3)cn2c1.
What is the InChIKey of 3-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid?
The InChIKey is CWXCQHLZVAYUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c15-5-9-1-2-12-16-11(8-19(12)6-9)17-13(20)10-3-4-18(7-10)14(21)22/h1-2,6,8,10H,3-4,7H2,(H,17,20)(H,21,22).
What are the key properties of 3-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid?
3-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid has a molecular weight of 299.29 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-cyanoimidazo[1,2-a]pyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 118980798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).