6-(pentylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

C17H22N4O — CID 109157775

IUPAC6-(pentylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCCCCCNc1ccc(C(=O)NCc2ccccn2)cn1
InChIInChI=1S/C17H22N4O/c1-2-3-5-11-19-16-9-8-14(12-20-16)17(22)21-13-15-7-4-6-10-18-15/h4,6-10,12H,2-3,5,11,13H2,1H3,(H,19,20)(H,21,22)
InChIKeyUXBNBIBYMTXPEF-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.01
Rot. Bonds8

About 6-(pentylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

6-(pentylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 109157775) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-(pentylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(pentylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID109157775
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name6-(pentylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCCCCCNc1ccc(C(=O)NCc2ccccn2)cn1
InChIInChI=1S/C17H22N4O/c1-2-3-5-11-19-16-9-8-14(12-20-16)17(22)21-13-15-7-4-6-10-18-15/h4,6-10,12H,2-3,5,11,13H2,1H3,(H,19,20)(H,21,22)
InChIKeyUXBNBIBYMTXPEF-UHFFFAOYSA-N
XLogP3.01
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.01
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-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158304
3-N-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105911
N-(2-methoxyethyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109152998
N-butyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248078
6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151510
N-pentyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283102
N-dodecyl-4-[(pyridin-2-ylmethylamino)methyl]benzamide
CID 174467580
6-(pentylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109156212
6-(nonylamino)pyridine-3-carboxylic acid
CID 20503604
N-[2-(4-fluorophenyl)ethyl]-6-(pentylamino)pyridine-3-carboxamide
CID 109158696
6-(butylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109151574
N-[2-(4-chlorophenyl)ethyl]-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109157669

Frequently Asked Questions

What is the IUPAC name of 6-(pentylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(pentylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 109157775) is 6-(pentylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(pentylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(pentylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is CCCCCNc1ccc(C(=O)NCc2ccccn2)cn1.
What is the InChIKey of 6-(pentylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is UXBNBIBYMTXPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-2-3-5-11-19-16-9-8-14(12-20-16)17(22)21-13-15-7-4-6-10-18-15/h4,6-10,12H,2-3,5,11,13H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 6-(pentylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
6-(pentylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pentylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109157775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).