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

C27H31N3O2 — CID 162287747

IUPACN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxamide
SMILESCc1cc2c(cn1)cc(-c1cc(NC(=O)C3CC4CCCCC4C3)ccc1C)c(=O)n2C
InChIInChI=1S/C27H31N3O2/c1-16-8-9-22(29-26(31)20-11-18-6-4-5-7-19(18)12-20)14-23(16)24-13-21-15-28-17(2)10-25(21)30(3)27(24)32/h8-10,13-15,18-20H,4-7,11-12H2,1-3H3,(H,29,31)
InChIKeyXPCMQPZVSAAKKZ-UHFFFAOYSA-N
MW429.56 g/mol
LogP5.37
Rot. Bonds3

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

N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxamide (PubChem CID 162287747) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxamide
PubChem CID162287747
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC NameN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxamide
SMILESCc1cc2c(cn1)cc(-c1cc(NC(=O)C3CC4CCCCC4C3)ccc1C)c(=O)n2C
InChIInChI=1S/C27H31N3O2/c1-16-8-9-22(29-26(31)20-11-18-6-4-5-7-19(18)12-20)14-23(16)24-13-21-15-28-17(2)10-25(21)30(3)27(24)32/h8-10,13-15,18-20H,4-7,11-12H2,1-3H3,(H,29,31)
InChIKeyXPCMQPZVSAAKKZ-UHFFFAOYSA-N
XLogP5.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxamide with MolForge

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Related Compounds

3-[5-[[(3Z)-4-cyclopropyl-4-hydroxybuta-1,3-dien-2-yl]amino]-2-methylphenyl]-1,7-dimethyl-1,6-naphthyridin-2-one
CID 143852495
1-cyclopentyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-4,5-dihydroimidazole-2-carboxamide
CID 71084109
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]-2,5-dimethylfuran-3-carboxamide
CID 59212401
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1,3,4,5-tetramethylpyrrole-2-carboxamide
CID 24954166
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]-4H-imidazole-2-carboxamide
CID 163459698
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
1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-thiophen-2-ylurea
CID 59212524
N-[[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]carbamothioyl]-2-methylpropanamide
CID 58369052

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxamide?
The IUPAC name of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxamide (CID 162287747) is N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxamide?
The canonical SMILES for N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxamide is Cc1cc2c(cn1)cc(-c1cc(NC(=O)C3CC4CCCCC4C3)ccc1C)c(=O)n2C.
What is the InChIKey of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxamide?
The InChIKey is XPCMQPZVSAAKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-16-8-9-22(29-26(31)20-11-18-6-4-5-7-19(18)12-20)14-23(16)24-13-21-15-28-17(2)10-25(21)30(3)27(24)32/h8-10,13-15,18-20H,4-7,11-12H2,1-3H3,(H,29,31).
What are the key properties of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxamide?
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxamide has a molecular weight of 429.56 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 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]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxamide is sourced from PubChem (CID 162287747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).