2-benzyl-N-[(2R)-6-methylheptan-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide

C28H35N3O — CID 2453404

IUPAC2-benzyl-N-[(2R)-6-methylheptan-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
SMILESCC(C)CCC[C@@H](C)NC(=O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2
InChIInChI=1S/C28H35N3O/c1-20(2)10-9-11-21(3)29-28(32)27-23-14-7-8-15-25(23)30-26-16-17-31(19-24(26)27)18-22-12-5-4-6-13-22/h4-8,12-15,20-21H,9-11,16-19H2,1-3H3,(H,29,32)/t21-/m1/s1
InChIKeyPYDHVUMPFVBVEX-OAQYLSRUSA-N
MW429.61 g/mol
LogP5.74
Rot. Bonds8

About 2-benzyl-N-[(2R)-6-methylheptan-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide

2-benzyl-N-[(2R)-6-methylheptan-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide (PubChem CID 2453404) has the molecular formula C28H35N3O and a molecular weight of 429.61 g/mol. Its IUPAC name is 2-benzyl-N-[(2R)-6-methylheptan-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[(2R)-6-methylheptan-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
PubChem CID2453404
Molecular FormulaC28H35N3O
Molecular Weight429.61 g/mol
Exact Mass429.28
IUPAC Name2-benzyl-N-[(2R)-6-methylheptan-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
SMILESCC(C)CCC[C@@H](C)NC(=O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2
InChIInChI=1S/C28H35N3O/c1-20(2)10-9-11-21(3)29-28(32)27-23-14-7-8-15-25(23)30-26-16-17-31(19-24(26)27)18-22-12-5-4-6-13-22/h4-8,12-15,20-21H,9-11,16-19H2,1-3H3,(H,29,32)/t21-/m1/s1
InChIKeyPYDHVUMPFVBVEX-OAQYLSRUSA-N
XLogP5.74
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.61
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-N-[(2R)-6-methylheptan-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 32623849
2-ethyl-N-(3-methylbutyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804812
[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23773839
2-benzyl-N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 2442028
[1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23999709
[1-(2-carbamoylanilino)-1-oxopropan-2-yl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23744709
[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23773927
2-ethyl-N-[1-(2-methylphenyl)ethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 18083356
[1-(2-methoxycarbonylanilino)-1-oxopropan-2-yl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23744706
N-(1-phenylpropan-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3411008
[1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23744704
4-amino-2-[(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)amino]-4-oxobutanoic acid
CID 108804809

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(2R)-6-methylheptan-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The IUPAC name of 2-benzyl-N-[(2R)-6-methylheptan-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide (CID 2453404) is 2-benzyl-N-[(2R)-6-methylheptan-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide.
What is the SMILES notation for 2-benzyl-N-[(2R)-6-methylheptan-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The canonical SMILES for 2-benzyl-N-[(2R)-6-methylheptan-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide is CC(C)CCC[C@@H](C)NC(=O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-N-[(2R)-6-methylheptan-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The InChIKey is PYDHVUMPFVBVEX-OAQYLSRUSA-N. The full InChI is InChI=1S/C28H35N3O/c1-20(2)10-9-11-21(3)29-28(32)27-23-14-7-8-15-25(23)30-26-16-17-31(19-24(26)27)18-22-12-5-4-6-13-22/h4-8,12-15,20-21H,9-11,16-19H2,1-3H3,(H,29,32)/t21-/m1/s1.
What are the key properties of 2-benzyl-N-[(2R)-6-methylheptan-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
2-benzyl-N-[(2R)-6-methylheptan-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide has a molecular weight of 429.61 g/mol, XLogP of 5.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(2R)-6-methylheptan-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide is sourced from PubChem (CID 2453404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).