5-(furan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

C17H16N4O2 — CID 109231475

IUPAC5-(furan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1cncc(NCc2ccco2)c1
InChIInChI=1S/C17H16N4O2/c22-17(21-9-13-3-5-18-6-4-13)14-8-15(11-19-10-14)20-12-16-2-1-7-23-16/h1-8,10-11,20H,9,12H2,(H,21,22)
InChIKeySMDFXPYQXCQTDQ-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.61
Rot. Bonds6

About 5-(furan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

5-(furan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 109231475) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-(furan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID109231475
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name5-(furan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1cncc(NCc2ccco2)c1
InChIInChI=1S/C17H16N4O2/c22-17(21-9-13-3-5-18-6-4-13)14-8-15(11-19-10-14)20-12-16-2-1-7-23-16/h1-8,10-11,20H,9,12H2,(H,21,22)
InChIKeySMDFXPYQXCQTDQ-UHFFFAOYSA-N
XLogP2.61
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-4-ylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235489
5-(furan-2-ylmethylamino)-N-propylpyridine-3-carboxamide
CID 109222782
5-(furan-2-ylmethylamino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227645
N-[(4-methylphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232496
N-(furan-2-ylmethyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109231335
N-cyclopropyl-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109223574
N-(3,4-difluorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231628
5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109231482
N-(3,5-dichlorophenyl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231615
5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235531
5-[(4-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109234472
N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63864753

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(furan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (CID 109231475) is 5-(furan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(furan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(furan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ccncc1)c1cncc(NCc2ccco2)c1.
What is the InChIKey of 5-(furan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is SMDFXPYQXCQTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-17(21-9-13-3-5-18-6-4-13)14-8-15(11-19-10-14)20-12-16-2-1-7-23-16/h1-8,10-11,20H,9,12H2,(H,21,22).
What are the key properties of 5-(furan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
5-(furan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109231475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).