N-butyl-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide

C16H20N4O — CID 109165425

IUPACN-butyl-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
SMILESCCCCNC(=O)c1ccnc(NCc2cccnc2)c1
InChIInChI=1S/C16H20N4O/c1-2-3-8-19-16(21)14-6-9-18-15(10-14)20-12-13-5-4-7-17-11-13/h4-7,9-11H,2-3,8,12H2,1H3,(H,18,20)(H,19,21)
InChIKeyNPSJPJMXMHFWAD-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.62
Rot. Bonds7

About N-butyl-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide

N-butyl-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide (PubChem CID 109165425) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-butyl-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
PubChem CID109165425
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-butyl-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
SMILESCCCCNC(=O)c1ccnc(NCc2cccnc2)c1
InChIInChI=1S/C16H20N4O/c1-2-3-8-19-16(21)14-6-9-18-15(10-14)20-12-13-5-4-7-17-11-13/h4-7,9-11H,2-3,8,12H2,1H3,(H,18,20)(H,19,21)
InChIKeyNPSJPJMXMHFWAD-UHFFFAOYSA-N
XLogP2.62
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.62
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

N-[2-(3-chlorophenyl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171926
N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid
CID 29037275
2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109171827
N-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109165416
N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110
2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide
CID 109170487
N-(2,6-dichlorophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171978
N-(2-bromophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171963
N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109165408
N-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112854090
N-butyl-N'-(pyridin-3-ylmethyl)oxamide
CID 21212895

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide?
The IUPAC name of N-butyl-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide (CID 109165425) is N-butyl-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-butyl-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-butyl-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide is CCCCNC(=O)c1ccnc(NCc2cccnc2)c1.
What is the InChIKey of N-butyl-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide?
The InChIKey is NPSJPJMXMHFWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-3-8-19-16(21)14-6-9-18-15(10-14)20-12-13-5-4-7-17-11-13/h4-7,9-11H,2-3,8,12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-butyl-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide?
N-butyl-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109165425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).