N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3,4,5-tetramethylpyrrole-2-carboxamide

C26H28N4O2 — CID 24954166

IUPACN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3,4,5-tetramethylpyrrole-2-carboxamide
SMILESCc1cc2c(cn1)cc(-c1cc(NC(=O)c3c(C)c(C)c(C)n3C)ccc1C)c(=O)n2C
InChIInChI=1S/C26H28N4O2/c1-14-8-9-20(28-25(31)24-17(4)16(3)18(5)29(24)6)12-21(14)22-11-19-13-27-15(2)10-23(19)30(7)26(22)32/h8-13H,1-7H3,(H,28,31)
InChIKeyNGUBVOWQEQPXHG-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.73
Rot. Bonds3

About N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3,4,5-tetramethylpyrrole-2-carboxamide

N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3,4,5-tetramethylpyrrole-2-carboxamide (PubChem CID 24954166) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3,4,5-tetramethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3,4,5-tetramethylpyrrole-2-carboxamide
PubChem CID24954166
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3,4,5-tetramethylpyrrole-2-carboxamide
SMILESCc1cc2c(cn1)cc(-c1cc(NC(=O)c3c(C)c(C)c(C)n3C)ccc1C)c(=O)n2C
InChIInChI=1S/C26H28N4O2/c1-14-8-9-20(28-25(31)24-17(4)16(3)18(5)29(24)6)12-21(14)22-11-19-13-27-15(2)10-23(19)30(7)26(22)32/h8-13H,1-7H3,(H,28,31)
InChIKeyNGUBVOWQEQPXHG-UHFFFAOYSA-N
XLogP4.73
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,4-dimethylbenzamide
CID 59212337
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]pyridine-2-carboxamide
CID 59212447
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3-oxazole-4-carboxamide
CID 24951699
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methylthiophene-2-carboxamide
CID 59212300
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]thiophene-2-carboxamide
CID 59212373
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
CID 59212401
4-cyano-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,5-dimethylpyrrole-2-carboxamide
CID 24953829
3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methyl-N-(6-methyl-3-pyridinyl)benzamide
CID 59212346
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4H-imidazole-2-carboxamide
CID 163459698
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-(2-fluoroethyl)imidazole-2-carboxamide
CID 59212546
1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-thiophen-2-ylurea
CID 59212524
5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide
CID 59212377

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3,4,5-tetramethylpyrrole-2-carboxamide?
The IUPAC name of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3,4,5-tetramethylpyrrole-2-carboxamide (CID 24954166) is N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3,4,5-tetramethylpyrrole-2-carboxamide.
What is the SMILES notation for N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3,4,5-tetramethylpyrrole-2-carboxamide?
The canonical SMILES for N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3,4,5-tetramethylpyrrole-2-carboxamide is Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3c(C)c(C)c(C)n3C)ccc1C)c(=O)n2C.
What is the InChIKey of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3,4,5-tetramethylpyrrole-2-carboxamide?
The InChIKey is NGUBVOWQEQPXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-14-8-9-20(28-25(31)24-17(4)16(3)18(5)29(24)6)12-21(14)22-11-19-13-27-15(2)10-23(19)30(7)26(22)32/h8-13H,1-7H3,(H,28,31).
What are the key properties of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3,4,5-tetramethylpyrrole-2-carboxamide?
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3,4,5-tetramethylpyrrole-2-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3,4,5-tetramethylpyrrole-2-carboxamide is sourced from PubChem (CID 24954166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).