5-[3-(cyclopropylamino)propylcarbamoyl]pyridine-2-carboxylic acid

C13H17N3O3 — CID 61408527

IUPAC5-[3-(cyclopropylamino)propylcarbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NCCCNC1CC1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C13H17N3O3/c17-12(15-7-1-6-14-10-3-4-10)9-2-5-11(13(18)19)16-8-9/h2,5,8,10,14H,1,3-4,6-7H2,(H,15,17)(H,18,19)
InChIKeyRFVQPWRVHQQATC-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.65
Rot. Bonds7

About 5-[3-(cyclopropylamino)propylcarbamoyl]pyridine-2-carboxylic acid

5-[3-(cyclopropylamino)propylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 61408527) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-[3-(cyclopropylamino)propylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(cyclopropylamino)propylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID61408527
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name5-[3-(cyclopropylamino)propylcarbamoyl]pyridine-2-carboxylic acid
SMILESO=C(NCCCNC1CC1)c1ccc(C(=O)O)nc1
InChIInChI=1S/C13H17N3O3/c17-12(15-7-1-6-14-10-3-4-10)9-2-5-11(13(18)19)16-8-9/h2,5,8,10,14H,1,3-4,6-7H2,(H,15,17)(H,18,19)
InChIKeyRFVQPWRVHQQATC-UHFFFAOYSA-N
XLogP0.65
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid
CID 60769978
5-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 61150263
5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid
CID 43414727
4-chloro-N-[3-(cyclopropylamino)propyl]benzamide
CID 43596460
N-[3-(cyclopropylamino)propyl]-5-methylpyrazine-2-carboxamide
CID 43596390
5-(cyclobutylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43427412
2-[3-(cyclopropylamino)propylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696775
6-[3-(cyclopropylamino)propylamino]pyridine-3-carboxylic acid
CID 61404521
5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 60725088
2-[3-(cyclopropylamino)propylcarbamoyl]pyridine-3-carboxylic acid
CID 63615272
5-[(4-propylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid
CID 61380872
N-[3-(cyclopropylamino)propyl]-3,4-difluorobenzamide
CID 43596480

Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclopropylamino)propylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[3-(cyclopropylamino)propylcarbamoyl]pyridine-2-carboxylic acid (CID 61408527) is 5-[3-(cyclopropylamino)propylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[3-(cyclopropylamino)propylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[3-(cyclopropylamino)propylcarbamoyl]pyridine-2-carboxylic acid is O=C(NCCCNC1CC1)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[3-(cyclopropylamino)propylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is RFVQPWRVHQQATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-12(15-7-1-6-14-10-3-4-10)9-2-5-11(13(18)19)16-8-9/h2,5,8,10,14H,1,3-4,6-7H2,(H,15,17)(H,18,19).
What are the key properties of 5-[3-(cyclopropylamino)propylcarbamoyl]pyridine-2-carboxylic acid?
5-[3-(cyclopropylamino)propylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclopropylamino)propylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 61408527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).