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

C13H17N3O3 — CID 63615272

IUPAC2-[3-(cyclopropylamino)propylcarbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)NCCCNC1CC1
InChIInChI=1S/C13H17N3O3/c17-12(16-8-2-7-14-9-4-5-9)11-10(13(18)19)3-1-6-15-11/h1,3,6,9,14H,2,4-5,7-8H2,(H,16,17)(H,18,19)
InChIKeyXVIVQHOWOZJWRI-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.65
Rot. Bonds7

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

2-[3-(cyclopropylamino)propylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 63615272) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[3-(cyclopropylamino)propylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-(cyclopropylamino)propylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID63615272
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[3-(cyclopropylamino)propylcarbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)NCCCNC1CC1
InChIInChI=1S/C13H17N3O3/c17-12(16-8-2-7-14-9-4-5-9)11-10(13(18)19)3-1-6-15-11/h1,3,6,9,14H,2,4-5,7-8H2,(H,16,17)(H,18,19)
InChIKeyXVIVQHOWOZJWRI-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

2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]pyridine-3-carboxylic acid
CID 79377281
2-(pentylcarbamoyl)pyridine-3-carboxylic acid
CID 63614748
2-[(4-methylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270856
2-(2-cyclohexyloxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63828189
N-[2-(cyclopropylamino)ethyl]quinoline-8-carboxamide
CID 55126983
N-[3-(cyclopropylamino)propyl]-2-iodobenzamide
CID 43596355
5-[3-(cyclopropylamino)propylcarbamoyl]pyridine-2-carboxylic acid
CID 61408527
2-[(1-acetylpiperidin-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63616571
N-[3-(cyclopropylamino)propyl]-2-phenylacetamide
CID 43596486
2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 19155028
2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid
CID 63614574
2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid
CID 57302140

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylamino)propylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[3-(cyclopropylamino)propylcarbamoyl]pyridine-3-carboxylic acid (CID 63615272) is 2-[3-(cyclopropylamino)propylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[3-(cyclopropylamino)propylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[3-(cyclopropylamino)propylcarbamoyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1C(=O)NCCCNC1CC1.
What is the InChIKey of 2-[3-(cyclopropylamino)propylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is XVIVQHOWOZJWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-12(16-8-2-7-14-9-4-5-9)11-10(13(18)19)3-1-6-15-11/h1,3,6,9,14H,2,4-5,7-8H2,(H,16,17)(H,18,19).
What are the key properties of 2-[3-(cyclopropylamino)propylcarbamoyl]pyridine-3-carboxylic acid?
2-[3-(cyclopropylamino)propylcarbamoyl]pyridine-3-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 2-[3-(cyclopropylamino)propylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63615272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).