6-chloro-N-(3-formamidopropyl)pyridine-2-carboxamide

C10H12ClN3O2 — CID 84580412

IUPAC6-chloro-N-(3-formamidopropyl)pyridine-2-carboxamide
SMILESO=CNCCCNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C10H12ClN3O2/c11-9-4-1-3-8(14-9)10(16)13-6-2-5-12-7-15/h1,3-4,7H,2,5-6H2,(H,12,15)(H,13,16)
InChIKeyGOLOESALMLFJGS-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.60
Rot. Bonds6

About 6-chloro-N-(3-formamidopropyl)pyridine-2-carboxamide

6-chloro-N-(3-formamidopropyl)pyridine-2-carboxamide (PubChem CID 84580412) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 6-chloro-N-(3-formamidopropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-formamidopropyl)pyridine-2-carboxamide
PubChem CID84580412
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name6-chloro-N-(3-formamidopropyl)pyridine-2-carboxamide
SMILESO=CNCCCNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C10H12ClN3O2/c11-9-4-1-3-8(14-9)10(16)13-6-2-5-12-7-15/h1,3-4,7H,2,5-6H2,(H,12,15)(H,13,16)
InChIKeyGOLOESALMLFJGS-UHFFFAOYSA-N
XLogP0.60
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide
CID 107317157
6-chloro-N-(4-methylsulfanylbutyl)pyridine-2-carboxamide
CID 115635837
6-chloro-N-(4-cyanobutyl)pyridine-2-carboxamide
CID 63284925
6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide
CID 62235303
6-chloro-N-(3-ethenoxypropyl)pyridine-2-carboxamide
CID 62233139
methyl 4-[(6-chloropyridine-2-carbonyl)amino]butanoate
CID 62233867
6-chloro-N-(3-sulfamoylpropyl)pyridine-2-carboxamide
CID 62234046
N-(2-acetamidoethyl)-6-chloropyridine-2-carboxamide
CID 62234709
6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide
CID 86779907
6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide;hydrochloride
CID 86779906
6-chloro-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 62234708
2-[(6-chloropyridine-2-carbonyl)amino]ethyl carbamate
CID 83210511

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-formamidopropyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(3-formamidopropyl)pyridine-2-carboxamide (CID 84580412) is 6-chloro-N-(3-formamidopropyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-formamidopropyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(3-formamidopropyl)pyridine-2-carboxamide is O=CNCCCNC(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(3-formamidopropyl)pyridine-2-carboxamide?
The InChIKey is GOLOESALMLFJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c11-9-4-1-3-8(14-9)10(16)13-6-2-5-12-7-15/h1,3-4,7H,2,5-6H2,(H,12,15)(H,13,16).
What are the key properties of 6-chloro-N-(3-formamidopropyl)pyridine-2-carboxamide?
6-chloro-N-(3-formamidopropyl)pyridine-2-carboxamide has a molecular weight of 241.68 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-formamidopropyl)pyridine-2-carboxamide is sourced from PubChem (CID 84580412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).