4-(furan-2-ylmethylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide

C15H19N3O3 — CID 109206035

IUPAC4-(furan-2-ylmethylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1cc(NCc2ccco2)ccn1
InChIInChI=1S/C15H19N3O3/c1-20-8-3-6-17-15(19)14-10-12(5-7-16-14)18-11-13-4-2-9-21-13/h2,4-5,7,9-10H,3,6,8,11H2,1H3,(H,16,18)(H,17,19)
InChIKeyMXGQMQPKTNIDDF-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.05
Rot. Bonds8

About 4-(furan-2-ylmethylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide

4-(furan-2-ylmethylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide (PubChem CID 109206035) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-(furan-2-ylmethylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(furan-2-ylmethylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
PubChem CID109206035
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name4-(furan-2-ylmethylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1cc(NCc2ccco2)ccn1
InChIInChI=1S/C15H19N3O3/c1-20-8-3-6-17-15(19)14-10-12(5-7-16-14)18-11-13-4-2-9-21-13/h2,4-5,7,9-10H,3,6,8,11H2,1H3,(H,16,18)(H,17,19)
InChIKeyMXGQMQPKTNIDDF-UHFFFAOYSA-N
XLogP2.05
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109207723
N-(3-methoxypropyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109206050
4-(furan-2-ylmethylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109209456
N-cyclopropyl-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109201702
4-(furan-2-ylmethylamino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109207450
4-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206048
4-[2-(dimethylamino)ethylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109207271
4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045256
N-(4-acetylphenyl)-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109209563
4-(furan-2-ylmethylamino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109209555
N-butyl-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109180640
4-(furan-2-ylmethylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109209450

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide?
The IUPAC name of 4-(furan-2-ylmethylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide (CID 109206035) is 4-(furan-2-ylmethylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(furan-2-ylmethylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(furan-2-ylmethylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide is COCCCNC(=O)c1cc(NCc2ccco2)ccn1.
What is the InChIKey of 4-(furan-2-ylmethylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide?
The InChIKey is MXGQMQPKTNIDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-20-8-3-6-17-15(19)14-10-12(5-7-16-14)18-11-13-4-2-9-21-13/h2,4-5,7,9-10H,3,6,8,11H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 4-(furan-2-ylmethylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide?
4-(furan-2-ylmethylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109206035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).