6-[3-(1-methylpyrazol-4-yl)propylcarbamoyl]pyridine-2-carboxylic acid

C14H16N4O3 — CID 119184013

IUPAC6-[3-(1-methylpyrazol-4-yl)propylcarbamoyl]pyridine-2-carboxylic acid
SMILESCn1cc(CCCNC(=O)c2cccc(C(=O)O)n2)cn1
InChIInChI=1S/C14H16N4O3/c1-18-9-10(8-16-18)4-3-7-15-13(19)11-5-2-6-12(17-11)14(20)21/h2,5-6,8-9H,3-4,7H2,1H3,(H,15,19)(H,20,21)
InChIKeyZCVFPQXZSIELRG-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.88
Rot. Bonds6

About 6-[3-(1-methylpyrazol-4-yl)propylcarbamoyl]pyridine-2-carboxylic acid

6-[3-(1-methylpyrazol-4-yl)propylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 119184013) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 6-[3-(1-methylpyrazol-4-yl)propylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-(1-methylpyrazol-4-yl)propylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID119184013
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name6-[3-(1-methylpyrazol-4-yl)propylcarbamoyl]pyridine-2-carboxylic acid
SMILESCn1cc(CCCNC(=O)c2cccc(C(=O)O)n2)cn1
InChIInChI=1S/C14H16N4O3/c1-18-9-10(8-16-18)4-3-7-15-13(19)11-5-2-6-12(17-11)14(20)21/h2,5-6,8-9H,3-4,7H2,1H3,(H,15,19)(H,20,21)
InChIKeyZCVFPQXZSIELRG-UHFFFAOYSA-N
XLogP0.88
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(1-methylpyrazol-4-yl)propylamino]pyridine-2-carboxylic acid
CID 122047981
3-bromo-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
CID 52869461
6-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 112731793
3-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpropanamide
CID 119951131
2-amino-N-[3-(1-methylpyrazol-4-yl)propyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 131925868
2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide
CID 122131776
N-(3-phenylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095159
3-(3-fluorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
CID 91785576
(2R)-N-[3-(1-methylpyrazol-4-yl)propyl]-2-phenoxypropanamide
CID 94818590
N-[3-(1-methylpyrazol-4-yl)propyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 91770397
6-(morpholine-4-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109096025
6-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide
CID 106551138

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-methylpyrazol-4-yl)propylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[3-(1-methylpyrazol-4-yl)propylcarbamoyl]pyridine-2-carboxylic acid (CID 119184013) is 6-[3-(1-methylpyrazol-4-yl)propylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[3-(1-methylpyrazol-4-yl)propylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[3-(1-methylpyrazol-4-yl)propylcarbamoyl]pyridine-2-carboxylic acid is Cn1cc(CCCNC(=O)c2cccc(C(=O)O)n2)cn1.
What is the InChIKey of 6-[3-(1-methylpyrazol-4-yl)propylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is ZCVFPQXZSIELRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-18-9-10(8-16-18)4-3-7-15-13(19)11-5-2-6-12(17-11)14(20)21/h2,5-6,8-9H,3-4,7H2,1H3,(H,15,19)(H,20,21).
What are the key properties of 6-[3-(1-methylpyrazol-4-yl)propylcarbamoyl]pyridine-2-carboxylic acid?
6-[3-(1-methylpyrazol-4-yl)propylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 288.31 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-methylpyrazol-4-yl)propylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119184013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).