6-[furan-2-ylmethyl(methyl)amino]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide

C20H22N4O2 — CID 56748444

IUPAC6-[furan-2-ylmethyl(methyl)amino]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide
SMILESCN(Cc1ccco1)c1ccc(C(=O)NCCCc2ccccn2)cn1
InChIInChI=1S/C20H22N4O2/c1-24(15-18-8-5-13-26-18)19-10-9-16(14-23-19)20(25)22-12-4-7-17-6-2-3-11-21-17/h2-3,5-6,8-11,13-14H,4,7,12,15H2,1H3,(H,22,25)
InChIKeyZGYBFAUQIFCRQF-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.07
Rot. Bonds8

About 6-[furan-2-ylmethyl(methyl)amino]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide

6-[furan-2-ylmethyl(methyl)amino]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide (PubChem CID 56748444) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-[furan-2-ylmethyl(methyl)amino]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[furan-2-ylmethyl(methyl)amino]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide
PubChem CID56748444
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name6-[furan-2-ylmethyl(methyl)amino]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide
SMILESCN(Cc1ccco1)c1ccc(C(=O)NCCCc2ccccn2)cn1
InChIInChI=1S/C20H22N4O2/c1-24(15-18-8-5-13-26-18)19-10-9-16(14-23-19)20(25)22-12-4-7-17-6-2-3-11-21-17/h2-3,5-6,8-11,13-14H,4,7,12,15H2,1H3,(H,22,25)
InChIKeyZGYBFAUQIFCRQF-UHFFFAOYSA-N
XLogP3.07
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[furan-2-ylmethyl(methyl)amino]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-[furan-2-ylmethyl(methyl)amino]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide (CID 56748444) is 6-[furan-2-ylmethyl(methyl)amino]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[furan-2-ylmethyl(methyl)amino]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[furan-2-ylmethyl(methyl)amino]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide is CN(Cc1ccco1)c1ccc(C(=O)NCCCc2ccccn2)cn1.
What is the InChIKey of 6-[furan-2-ylmethyl(methyl)amino]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide?
The InChIKey is ZGYBFAUQIFCRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-24(15-18-8-5-13-26-18)19-10-9-16(14-23-19)20(25)22-12-4-7-17-6-2-3-11-21-17/h2-3,5-6,8-11,13-14H,4,7,12,15H2,1H3,(H,22,25).
What are the key properties of 6-[furan-2-ylmethyl(methyl)amino]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide?
6-[furan-2-ylmethyl(methyl)amino]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[furan-2-ylmethyl(methyl)amino]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 56748444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).