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

C15H18N4O — CID 43600549

IUPACN-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide
SMILESO=C(NCCCNCc1cccnc1)c1ccccn1
InChIInChI=1S/C15H18N4O/c20-15(14-6-1-2-9-18-14)19-10-4-8-17-12-13-5-3-7-16-11-13/h1-3,5-7,9,11,17H,4,8,10,12H2,(H,19,20)
InChIKeyUQENKMGRNKIGJH-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.39
Rot. Bonds7

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

N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide (PubChem CID 43600549) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide
PubChem CID43600549
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide
SMILESO=C(NCCCNCc1cccnc1)c1ccccn1
InChIInChI=1S/C15H18N4O/c20-15(14-6-1-2-9-18-14)19-10-4-8-17-12-13-5-3-7-16-11-13/h1-3,5-7,9,11,17H,4,8,10,12H2,(H,19,20)
InChIKeyUQENKMGRNKIGJH-UHFFFAOYSA-N
XLogP1.39
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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
CID 86779907
6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide;hydrochloride
CID 86779906
2-oxo-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-dihydroimidazole-4-carboxamide
CID 43600464
(E)-but-2-enedioic acid;N-[3-[3-(pyridine-2-carbonylamino)propylamino]propyl]pyridine-2-carboxamide
CID 155880885
N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
CID 54601367
2-fluoro-3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide;hydrochloride
CID 86779912
4-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-5-carboxamide
CID 66335871
4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine
CID 106844346
N-[3-(pyridin-3-ylmethylamino)propyl]pentanamide
CID 43600569
2,5-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]pyrazole-3-carboxamide
CID 66126278
3-fluoro-5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 86779903
N-(pyridin-3-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 63255523

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide (CID 43600549) is N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide is O=C(NCCCNCc1cccnc1)c1ccccn1.
What is the InChIKey of N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide?
The InChIKey is UQENKMGRNKIGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(14-6-1-2-9-18-14)19-10-4-8-17-12-13-5-3-7-16-11-13/h1-3,5-7,9,11,17H,4,8,10,12H2,(H,19,20).
What are the key properties of N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide?
N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 43600549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).