N-[5-(3-phenylpropylamino)-2-pyridinyl]furan-2-carboxamide

C19H19N3O2 — CID 113029807

IUPACN-[5-(3-phenylpropylamino)-2-pyridinyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(NCCCc2ccccc2)cn1)c1ccco1
InChIInChI=1S/C19H19N3O2/c23-19(17-9-5-13-24-17)22-18-11-10-16(14-21-18)20-12-4-8-15-6-2-1-3-7-15/h1-3,5-7,9-11,13-14,20H,4,8,12H2,(H,21,22,23)
InChIKeyFZQWJDIXJPVHST-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.97
Rot. Bonds7

About N-[5-(3-phenylpropylamino)-2-pyridinyl]furan-2-carboxamide

N-[5-(3-phenylpropylamino)-2-pyridinyl]furan-2-carboxamide (PubChem CID 113029807) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[5-(3-phenylpropylamino)-2-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-phenylpropylamino)-2-pyridinyl]furan-2-carboxamide
PubChem CID113029807
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[5-(3-phenylpropylamino)-2-pyridinyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(NCCCc2ccccc2)cn1)c1ccco1
InChIInChI=1S/C19H19N3O2/c23-19(17-9-5-13-24-17)22-18-11-10-16(14-21-18)20-12-4-8-15-6-2-1-3-7-15/h1-3,5-7,9-11,13-14,20H,4,8,12H2,(H,21,22,23)
InChIKeyFZQWJDIXJPVHST-UHFFFAOYSA-N
XLogP3.97
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.97
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

N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]furan-2-carboxamide
CID 113028255
methyl N-[5-(3-phenylpropylamino)-2-pyridinyl]carbamate
CID 113029848
N-[6-(5-hydroxypentylamino)-3-pyridinyl]furan-2-carboxamide
CID 28901222
3-methyl-N-[5-(3-phenylpropylamino)-2-pyridinyl]butanamide
CID 113029802
N-[5-[2-(2,4-dichlorophenyl)ethylamino]-2-pyridinyl]furan-2-carboxamide
CID 113031062
N-[5-(3-phenylpropylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113029836
N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]furan-2-carboxamide
CID 113027750
N-[5-(propan-2-ylamino)-2-pyridinyl]furan-2-carboxamide
CID 113023557
2-(2-methylphenyl)-N-[5-(3-phenylpropylamino)-2-pyridinyl]acetamide
CID 113029843
N-[5-(4-phenoxyanilino)-2-pyridinyl]furan-2-carboxamide
CID 113035819
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]furan-2-carboxamide
CID 113027322
N-[5-(butanoylamino)-2-pyridinyl]furan-2-carboxamide
CID 1452808

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-phenylpropylamino)-2-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[5-(3-phenylpropylamino)-2-pyridinyl]furan-2-carboxamide (CID 113029807) is N-[5-(3-phenylpropylamino)-2-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(3-phenylpropylamino)-2-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[5-(3-phenylpropylamino)-2-pyridinyl]furan-2-carboxamide is O=C(Nc1ccc(NCCCc2ccccc2)cn1)c1ccco1.
What is the InChIKey of N-[5-(3-phenylpropylamino)-2-pyridinyl]furan-2-carboxamide?
The InChIKey is FZQWJDIXJPVHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-19(17-9-5-13-24-17)22-18-11-10-16(14-21-18)20-12-4-8-15-6-2-1-3-7-15/h1-3,5-7,9-11,13-14,20H,4,8,12H2,(H,21,22,23).
What are the key properties of N-[5-(3-phenylpropylamino)-2-pyridinyl]furan-2-carboxamide?
N-[5-(3-phenylpropylamino)-2-pyridinyl]furan-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-phenylpropylamino)-2-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 113029807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).