N-(furan-2-ylmethyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide

C20H21N3O2 — CID 109231335

IUPACN-(furan-2-ylmethyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide
SMILESO=C(NCc1ccco1)c1cncc(NCCCc2ccccc2)c1
InChIInChI=1S/C20H21N3O2/c24-20(23-15-19-9-5-11-25-19)17-12-18(14-21-13-17)22-10-4-8-16-6-2-1-3-7-16/h1-3,5-7,9,11-14,22H,4,8,10,15H2,(H,23,24)
InChIKeyFYUJCHFFXVCCDA-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.65
Rot. Bonds8

About N-(furan-2-ylmethyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide

N-(furan-2-ylmethyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide (PubChem CID 109231335) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide
PubChem CID109231335
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(furan-2-ylmethyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide
SMILESO=C(NCc1ccco1)c1cncc(NCCCc2ccccc2)c1
InChIInChI=1S/C20H21N3O2/c24-20(23-15-19-9-5-11-25-19)17-12-18(14-21-13-17)22-10-4-8-16-6-2-1-3-7-16/h1-3,5-7,9,11-14,22H,4,8,10,15H2,(H,23,24)
InChIKeyFYUJCHFFXVCCDA-UHFFFAOYSA-N
XLogP3.65
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.65
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

5-N-(furan-2-ylmethyl)-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 109104870
5-[2-(2-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109231307
N-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109233806
5-(furan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109231475
5-(furan-2-ylmethylamino)-N-propylpyridine-3-carboxamide
CID 109222782
N-tert-butyl-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109239083
5-N-benzyl-3-N-(furan-2-ylmethyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109104838
5-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109231482
3-N-[2-(2-fluorophenyl)ethyl]-5-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104852
5-(furan-2-ylmethylamino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227645
N-(3-phenylpropyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235374
N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63864753

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide (CID 109231335) is N-(furan-2-ylmethyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide is O=C(NCc1ccco1)c1cncc(NCCCc2ccccc2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide?
The InChIKey is FYUJCHFFXVCCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-20(23-15-19-9-5-11-25-19)17-12-18(14-21-13-17)22-10-4-8-16-6-2-1-3-7-16/h1-3,5-7,9,11-14,22H,4,8,10,15H2,(H,23,24).
What are the key properties of N-(furan-2-ylmethyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide?
N-(furan-2-ylmethyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109231335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).