N-benzyl-N-cyclopentyl-2-phenyl-1,8-naphthyridine-4-carboxamide

C27H25N3O — CID 140502919

IUPACN-benzyl-N-cyclopentyl-2-phenyl-1,8-naphthyridine-4-carboxamide
SMILESO=C(c1cc(-c2ccccc2)nc2ncccc12)N(Cc1ccccc1)C1CCCC1
InChIInChI=1S/C27H25N3O/c31-27(30(22-14-7-8-15-22)19-20-10-3-1-4-11-20)24-18-25(21-12-5-2-6-13-21)29-26-23(24)16-9-17-28-26/h1-6,9-13,16-18,22H,7-8,14-15,19H2
InChIKeyAFJHNUAQUIFUPZ-UHFFFAOYSA-N
MW407.52 g/mol
LogP5.88
Rot. Bonds5

About N-benzyl-N-cyclopentyl-2-phenyl-1,8-naphthyridine-4-carboxamide

N-benzyl-N-cyclopentyl-2-phenyl-1,8-naphthyridine-4-carboxamide (PubChem CID 140502919) has the molecular formula C27H25N3O and a molecular weight of 407.52 g/mol. Its IUPAC name is N-benzyl-N-cyclopentyl-2-phenyl-1,8-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopentyl-2-phenyl-1,8-naphthyridine-4-carboxamide
PubChem CID140502919
Molecular FormulaC27H25N3O
Molecular Weight407.52 g/mol
Exact Mass407.20
IUPAC NameN-benzyl-N-cyclopentyl-2-phenyl-1,8-naphthyridine-4-carboxamide
SMILESO=C(c1cc(-c2ccccc2)nc2ncccc12)N(Cc1ccccc1)C1CCCC1
InChIInChI=1S/C27H25N3O/c31-27(30(22-14-7-8-15-22)19-20-10-3-1-4-11-20)24-18-25(21-12-5-2-6-13-21)29-26-23(24)16-9-17-28-26/h1-6,9-13,16-18,22H,7-8,14-15,19H2
InChIKeyAFJHNUAQUIFUPZ-UHFFFAOYSA-N
XLogP5.88
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopentyl-2-phenyl-1,8-naphthyridine-4-carboxamide?
The IUPAC name of N-benzyl-N-cyclopentyl-2-phenyl-1,8-naphthyridine-4-carboxamide (CID 140502919) is N-benzyl-N-cyclopentyl-2-phenyl-1,8-naphthyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-cyclopentyl-2-phenyl-1,8-naphthyridine-4-carboxamide?
The canonical SMILES for N-benzyl-N-cyclopentyl-2-phenyl-1,8-naphthyridine-4-carboxamide is O=C(c1cc(-c2ccccc2)nc2ncccc12)N(Cc1ccccc1)C1CCCC1.
What is the InChIKey of N-benzyl-N-cyclopentyl-2-phenyl-1,8-naphthyridine-4-carboxamide?
The InChIKey is AFJHNUAQUIFUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O/c31-27(30(22-14-7-8-15-22)19-20-10-3-1-4-11-20)24-18-25(21-12-5-2-6-13-21)29-26-23(24)16-9-17-28-26/h1-6,9-13,16-18,22H,7-8,14-15,19H2.
What are the key properties of N-benzyl-N-cyclopentyl-2-phenyl-1,8-naphthyridine-4-carboxamide?
N-benzyl-N-cyclopentyl-2-phenyl-1,8-naphthyridine-4-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopentyl-2-phenyl-1,8-naphthyridine-4-carboxamide is sourced from PubChem (CID 140502919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).