5-N-butyl-3-N-(cyclopropylmethyl)-1-(furan-2-ylmethyl)-4-oxo-3-N-propylpyridine-3,5-dicarboxamide

C23H31N3O4 — CID 42501865

IUPAC5-N-butyl-3-N-(cyclopropylmethyl)-1-(furan-2-ylmethyl)-4-oxo-3-N-propylpyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cn(Cc2ccco2)cc(C(=O)N(CCC)CC2CC2)c1=O
InChIInChI=1S/C23H31N3O4/c1-3-5-10-24-22(28)19-15-25(14-18-7-6-12-30-18)16-20(21(19)27)23(29)26(11-4-2)13-17-8-9-17/h6-7,12,15-17H,3-5,8-11,13-14H2,1-2H3,(H,24,28)
InChIKeyPPZUYVGTLPAXQD-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.28
Rot. Bonds11

About 5-N-butyl-3-N-(cyclopropylmethyl)-1-(furan-2-ylmethyl)-4-oxo-3-N-propylpyridine-3,5-dicarboxamide

5-N-butyl-3-N-(cyclopropylmethyl)-1-(furan-2-ylmethyl)-4-oxo-3-N-propylpyridine-3,5-dicarboxamide (PubChem CID 42501865) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is 5-N-butyl-3-N-(cyclopropylmethyl)-1-(furan-2-ylmethyl)-4-oxo-3-N-propylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-butyl-3-N-(cyclopropylmethyl)-1-(furan-2-ylmethyl)-4-oxo-3-N-propylpyridine-3,5-dicarboxamide
PubChem CID42501865
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name5-N-butyl-3-N-(cyclopropylmethyl)-1-(furan-2-ylmethyl)-4-oxo-3-N-propylpyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cn(Cc2ccco2)cc(C(=O)N(CCC)CC2CC2)c1=O
InChIInChI=1S/C23H31N3O4/c1-3-5-10-24-22(28)19-15-25(14-18-7-6-12-30-18)16-20(21(19)27)23(29)26(11-4-2)13-17-8-9-17/h6-7,12,15-17H,3-5,8-11,13-14H2,1-2H3,(H,24,28)
InChIKeyPPZUYVGTLPAXQD-UHFFFAOYSA-N
XLogP3.28
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.28
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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Related Compounds

3-N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-N-butyl-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide
CID 26352660
N-butyl-1-(furan-2-ylmethyl)-4-oxo-5-(3-phenylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 45230297
N-butyl-1-(furan-2-ylmethyl)-4-oxo-5-[(3S)-3-phenylpiperidine-1-carbonyl]pyridine-3-carboxamide
CID 42499416
5-N-butyl-3-N-[1-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-4-oxopyridine-3,5-dicarboxamide
CID 45169942
2-amino-N-(cyclopropylmethyl)-N-propylbenzamide
CID 22493330
N-[4-[cyclopropylmethyl(propyl)amino]-4-oxobutyl]benzamide
CID 78794772
N-(cyclopropylmethyl)-N-propylfuran-3-carboxamide
CID 86912308
N-(cyclopropylmethyl)-2-fluoro-6-hydroxy-N-propylbenzamide
CID 104916648
1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-propylurea
CID 56741397
1-butan-2-yl-3-N-ethyl-5-N-(furan-2-ylmethyl)-3-N-(2-methylprop-2-enyl)-4-oxopyridine-3,5-dicarboxamide
CID 45243150
5-amino-N-butyl-1-methyl-4-oxoquinoline-3-carboxamide
CID 82212638
N-butyl-N'-(furan-2-ylmethyl)butanediamide
CID 3970511

Frequently Asked Questions

What is the IUPAC name of 5-N-butyl-3-N-(cyclopropylmethyl)-1-(furan-2-ylmethyl)-4-oxo-3-N-propylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-butyl-3-N-(cyclopropylmethyl)-1-(furan-2-ylmethyl)-4-oxo-3-N-propylpyridine-3,5-dicarboxamide (CID 42501865) is 5-N-butyl-3-N-(cyclopropylmethyl)-1-(furan-2-ylmethyl)-4-oxo-3-N-propylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-butyl-3-N-(cyclopropylmethyl)-1-(furan-2-ylmethyl)-4-oxo-3-N-propylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-butyl-3-N-(cyclopropylmethyl)-1-(furan-2-ylmethyl)-4-oxo-3-N-propylpyridine-3,5-dicarboxamide is CCCCNC(=O)c1cn(Cc2ccco2)cc(C(=O)N(CCC)CC2CC2)c1=O.
What is the InChIKey of 5-N-butyl-3-N-(cyclopropylmethyl)-1-(furan-2-ylmethyl)-4-oxo-3-N-propylpyridine-3,5-dicarboxamide?
The InChIKey is PPZUYVGTLPAXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-3-5-10-24-22(28)19-15-25(14-18-7-6-12-30-18)16-20(21(19)27)23(29)26(11-4-2)13-17-8-9-17/h6-7,12,15-17H,3-5,8-11,13-14H2,1-2H3,(H,24,28).
What are the key properties of 5-N-butyl-3-N-(cyclopropylmethyl)-1-(furan-2-ylmethyl)-4-oxo-3-N-propylpyridine-3,5-dicarboxamide?
5-N-butyl-3-N-(cyclopropylmethyl)-1-(furan-2-ylmethyl)-4-oxo-3-N-propylpyridine-3,5-dicarboxamide has a molecular weight of 413.52 g/mol, XLogP of 3.28, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butyl-3-N-(cyclopropylmethyl)-1-(furan-2-ylmethyl)-4-oxo-3-N-propylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 42501865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).