N-[3-(benzimidazol-1-yl)propyl]-6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide

C24H23N5O3 — CID 91949351

IUPACN-[3-(benzimidazol-1-yl)propyl]-6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
SMILESO=C(NCCCn1cnc2ccccc21)C1CN(C(=O)c2ccco2)Cc2cccnc21
InChIInChI=1S/C24H23N5O3/c30-23(26-11-5-12-28-16-27-19-7-1-2-8-20(19)28)18-15-29(24(31)21-9-4-13-32-21)14-17-6-3-10-25-22(17)18/h1-4,6-10,13,16,18H,5,11-12,14-15H2,(H,26,30)
InChIKeyNZDKMQAOFHLXQV-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.97
Rot. Bonds6

About N-[3-(benzimidazol-1-yl)propyl]-6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide

N-[3-(benzimidazol-1-yl)propyl]-6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide (PubChem CID 91949351) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)propyl]-6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)propyl]-6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
PubChem CID91949351
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC NameN-[3-(benzimidazol-1-yl)propyl]-6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
SMILESO=C(NCCCn1cnc2ccccc21)C1CN(C(=O)c2ccco2)Cc2cccnc21
InChIInChI=1S/C24H23N5O3/c30-23(26-11-5-12-28-16-27-19-7-1-2-8-20(19)28)18-15-29(24(31)21-9-4-13-32-21)14-17-6-3-10-25-22(17)18/h1-4,6-10,13,16,18H,5,11-12,14-15H2,(H,26,30)
InChIKeyNZDKMQAOFHLXQV-UHFFFAOYSA-N
XLogP2.97
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(furan-2-carbonyl)-N-(3-indazol-2-ylpropyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949338
N-ethyl-6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949424
6-(furan-2-carbonyl)-N-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949384
N-[3-(benzimidazol-1-yl)propyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111167463
(4-benzylpiperazin-1-yl)-[6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-8-yl]methanone
CID 91949327
N-(3-indazol-2-ylpropyl)-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949462
N-(3-indazol-1-ylpropyl)-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949461
(3S)-N-[3-(benzimidazol-1-yl)propyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 94491723
N-[3-(benzimidazol-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51273849
(2R)-N-[3-(benzimidazol-1-yl)propyl]pyrrolidine-2-carboxamide
CID 103813325
1-[3-(benzimidazol-1-yl)propyl]-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea
CID 55740162
6-acetyl-N-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949173

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide?
The IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide (CID 91949351) is N-[3-(benzimidazol-1-yl)propyl]-6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)propyl]-6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide?
The canonical SMILES for N-[3-(benzimidazol-1-yl)propyl]-6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide is O=C(NCCCn1cnc2ccccc21)C1CN(C(=O)c2ccco2)Cc2cccnc21.
What is the InChIKey of N-[3-(benzimidazol-1-yl)propyl]-6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide?
The InChIKey is NZDKMQAOFHLXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c30-23(26-11-5-12-28-16-27-19-7-1-2-8-20(19)28)18-15-29(24(31)21-9-4-13-32-21)14-17-6-3-10-25-22(17)18/h1-4,6-10,13,16,18H,5,11-12,14-15H2,(H,26,30).
What are the key properties of N-[3-(benzimidazol-1-yl)propyl]-6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide?
N-[3-(benzimidazol-1-yl)propyl]-6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)propyl]-6-(furan-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide is sourced from PubChem (CID 91949351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).