6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide

C15H17ClN4O — CID 86779907

IUPAC6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide
SMILESO=C(NCCCNCc1cccnc1)c1cccc(Cl)n1
InChIInChI=1S/C15H17ClN4O/c16-14-6-1-5-13(20-14)15(21)19-9-3-8-18-11-12-4-2-7-17-10-12/h1-2,4-7,10,18H,3,8-9,11H2,(H,19,21)
InChIKeyWTKZHOIYIDXQOA-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.04
Rot. Bonds7

About 6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide

6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide (PubChem CID 86779907) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide
PubChem CID86779907
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide
SMILESO=C(NCCCNCc1cccnc1)c1cccc(Cl)n1
InChIInChI=1S/C15H17ClN4O/c16-14-6-1-5-13(20-14)15(21)19-9-3-8-18-11-12-4-2-7-17-10-12/h1-2,4-7,10,18H,3,8-9,11H2,(H,19,21)
InChIKeyWTKZHOIYIDXQOA-UHFFFAOYSA-N
XLogP2.04
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide;hydrochloride
CID 86779906
N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide
CID 43600549
2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109095843
6-chloro-N-(3-formamidopropyl)pyridine-2-carboxamide
CID 84580412
2-fluoro-3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide;hydrochloride
CID 86779912
2-oxo-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-dihydroimidazole-4-carboxamide
CID 43600464
6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide
CID 107317157
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 62232710
2-N-[2-(dimethylamino)ethyl]-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096293
4-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-5-carboxamide
CID 66335871
6-chloro-N-(3-sulfamoylpropyl)pyridine-2-carboxamide
CID 62234046

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide (CID 86779907) is 6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide is O=C(NCCCNCc1cccnc1)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide?
The InChIKey is WTKZHOIYIDXQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-14-6-1-5-13(20-14)15(21)19-9-3-8-18-11-12-4-2-7-17-10-12/h1-2,4-7,10,18H,3,8-9,11H2,(H,19,21).
What are the key properties of 6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide?
6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 86779907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).