N-ethyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C26H25N3O2 — CID 7620509

IUPACN-ethyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCN(C(=O)c1cc2cccnc2n(Cc2ccc(C)cc2)c1=O)c1cccc(C)c1
InChIInChI=1S/C26H25N3O2/c1-4-28(22-9-5-7-19(3)15-22)25(30)23-16-21-8-6-14-27-24(21)29(26(23)31)17-20-12-10-18(2)11-13-20/h5-16H,4,17H2,1-3H3
InChIKeyLQRMSALASNSHPV-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.73
Rot. Bonds5

About N-ethyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

N-ethyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 7620509) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID7620509
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC NameN-ethyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCN(C(=O)c1cc2cccnc2n(Cc2ccc(C)cc2)c1=O)c1cccc(C)c1
InChIInChI=1S/C26H25N3O2/c1-4-28(22-9-5-7-19(3)15-22)25(30)23-16-21-8-6-14-27-24(21)29(26(23)31)17-20-12-10-18(2)11-13-20/h5-16H,4,17H2,1-3H3
InChIKeyLQRMSALASNSHPV-UHFFFAOYSA-N
XLogP4.73
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methylphenyl)methyl]-2-oxo-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 7620348
N-cyclohexyl-N-ethyl-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620356
N-ethyl-1-[(2-fluorophenyl)methyl]-2-oxo-N-phenyl-1,8-naphthyridine-3-carboxamide
CID 43996164
1-benzyl-N,N-diethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620018
N-ethyl-1-methyl-2-oxo-N-phenyl-1,8-naphthyridine-3-carboxamide
CID 18582865
N-benzyl-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620472
1-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,8-naphthyridine-3-carboxamide
CID 7620412
1-[(4-methylphenyl)methyl]-N-(4-methyl-2-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620583
N-ethyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598795
N-[3-(dimethylamino)propyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620437
3-(azepane-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 7620362
1-[(4-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620743

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 7620509) is N-ethyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is CCN(C(=O)c1cc2cccnc2n(Cc2ccc(C)cc2)c1=O)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is LQRMSALASNSHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-4-28(22-9-5-7-19(3)15-22)25(30)23-16-21-8-6-14-27-24(21)29(26(23)31)17-20-12-10-18(2)11-13-20/h5-16H,4,17H2,1-3H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
N-ethyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7620509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).