6-[2-cyanoethyl(cyclopropyl)carbamoyl]pyridine-3-carboxylic acid

C13H13N3O3 — CID 54997229

IUPAC6-[2-cyanoethyl(cyclopropyl)carbamoyl]pyridine-3-carboxylic acid
SMILESN#CCCN(C(=O)c1ccc(C(=O)O)cn1)C1CC1
InChIInChI=1S/C13H13N3O3/c14-6-1-7-16(10-3-4-10)12(17)11-5-2-9(8-15-11)13(18)19/h2,5,8,10H,1,3-4,7H2,(H,18,19)
InChIKeyLDPSBCCUOJFKFI-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.30
Rot. Bonds5

About 6-[2-cyanoethyl(cyclopropyl)carbamoyl]pyridine-3-carboxylic acid

6-[2-cyanoethyl(cyclopropyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 54997229) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 6-[2-cyanoethyl(cyclopropyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-cyanoethyl(cyclopropyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID54997229
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name6-[2-cyanoethyl(cyclopropyl)carbamoyl]pyridine-3-carboxylic acid
SMILESN#CCCN(C(=O)c1ccc(C(=O)O)cn1)C1CC1
InChIInChI=1S/C13H13N3O3/c14-6-1-7-16(10-3-4-10)12(17)11-5-2-9(8-15-11)13(18)19/h2,5,8,10H,1,3-4,7H2,(H,18,19)
InChIKeyLDPSBCCUOJFKFI-UHFFFAOYSA-N
XLogP1.30
TPSA94.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyridine-3-carboxylic acid
CID 54995273
6-[2-cyanoethyl(propan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 54996635
N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide
CID 112702167
6-amino-N-(2-cyanoethyl)-N-cyclopropylpyridazine-3-carboxamide
CID 62159894
6-[2-carboxyethyl(oxan-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 154842023
4-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
CID 61053675
N-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide
CID 54997505
N-(2-bromoethyl)-5-cyano-N-cyclopropylpyridine-2-carboxamide
CID 80665123
N-(2-cyanoethyl)-N-cyclopropyl-4-(trifluoromethoxy)benzamide
CID 115592849
6-[1-cyanopropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 55175516
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-4-methylbenzamide
CID 54982144
2-[4-[2-cyanoethyl(cyclopropyl)carbamoyl]triazol-1-yl]acetic acid
CID 66288353

Frequently Asked Questions

What is the IUPAC name of 6-[2-cyanoethyl(cyclopropyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-cyanoethyl(cyclopropyl)carbamoyl]pyridine-3-carboxylic acid (CID 54997229) is 6-[2-cyanoethyl(cyclopropyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-cyanoethyl(cyclopropyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-cyanoethyl(cyclopropyl)carbamoyl]pyridine-3-carboxylic acid is N#CCCN(C(=O)c1ccc(C(=O)O)cn1)C1CC1.
What is the InChIKey of 6-[2-cyanoethyl(cyclopropyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is LDPSBCCUOJFKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c14-6-1-7-16(10-3-4-10)12(17)11-5-2-9(8-15-11)13(18)19/h2,5,8,10H,1,3-4,7H2,(H,18,19).
What are the key properties of 6-[2-cyanoethyl(cyclopropyl)carbamoyl]pyridine-3-carboxylic acid?
6-[2-cyanoethyl(cyclopropyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-cyanoethyl(cyclopropyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 54997229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).