3-(3-pyrrolidin-1-ylpropylcarbamoylamino)pyridine-2-carboxylic acid

C14H20N4O3 — CID 104743602

IUPAC3-(3-pyrrolidin-1-ylpropylcarbamoylamino)pyridine-2-carboxylic acid
SMILESO=C(NCCCN1CCCC1)Nc1cccnc1C(=O)O
InChIInChI=1S/C14H20N4O3/c19-13(20)12-11(5-3-6-15-12)17-14(21)16-7-4-10-18-8-1-2-9-18/h3,5-6H,1-2,4,7-10H2,(H,19,20)(H2,16,17,21)
InChIKeyUEHNGBRXGZKRQI-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.39
Rot. Bonds6

About 3-(3-pyrrolidin-1-ylpropylcarbamoylamino)pyridine-2-carboxylic acid

3-(3-pyrrolidin-1-ylpropylcarbamoylamino)pyridine-2-carboxylic acid (PubChem CID 104743602) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-(3-pyrrolidin-1-ylpropylcarbamoylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-pyrrolidin-1-ylpropylcarbamoylamino)pyridine-2-carboxylic acid
PubChem CID104743602
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name3-(3-pyrrolidin-1-ylpropylcarbamoylamino)pyridine-2-carboxylic acid
SMILESO=C(NCCCN1CCCC1)Nc1cccnc1C(=O)O
InChIInChI=1S/C14H20N4O3/c19-13(20)12-11(5-3-6-15-12)17-14(21)16-7-4-10-18-8-1-2-9-18/h3,5-6H,1-2,4,7-10H2,(H,19,20)(H2,16,17,21)
InChIKeyUEHNGBRXGZKRQI-UHFFFAOYSA-N
XLogP1.39
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.39
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

1-(8-methylquinolin-5-yl)-3-(3-pyrrolidin-1-ylpropyl)urea
CID 72861388
3-(2-imidazol-1-ylethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743387
3-(2-methylsulfanylethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743655
3-(2-pyridin-2-ylethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743183
3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 106020866
1-(2-methoxy-3-pyridinyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 55744742
2-[2-(2-pyrrolidin-1-ylethylcarbamoylamino)phenyl]acetic acid
CID 62636200
2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 103753970
3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]pyridine-2-carboxylic acid
CID 104743648
1-(2,4-dichlorophenyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea
CID 55697068
3-[(4-methylpiperazin-1-yl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743816
1-(2-methoxy-3-pyridinyl)-3-[4-(3-methylpiperidin-1-yl)butyl]urea
CID 47042538

Frequently Asked Questions

What is the IUPAC name of 3-(3-pyrrolidin-1-ylpropylcarbamoylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-(3-pyrrolidin-1-ylpropylcarbamoylamino)pyridine-2-carboxylic acid (CID 104743602) is 3-(3-pyrrolidin-1-ylpropylcarbamoylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(3-pyrrolidin-1-ylpropylcarbamoylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(3-pyrrolidin-1-ylpropylcarbamoylamino)pyridine-2-carboxylic acid is O=C(NCCCN1CCCC1)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-(3-pyrrolidin-1-ylpropylcarbamoylamino)pyridine-2-carboxylic acid?
The InChIKey is UEHNGBRXGZKRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-13(20)12-11(5-3-6-15-12)17-14(21)16-7-4-10-18-8-1-2-9-18/h3,5-6H,1-2,4,7-10H2,(H,19,20)(H2,16,17,21).
What are the key properties of 3-(3-pyrrolidin-1-ylpropylcarbamoylamino)pyridine-2-carboxylic acid?
3-(3-pyrrolidin-1-ylpropylcarbamoylamino)pyridine-2-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyrrolidin-1-ylpropylcarbamoylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 104743602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).