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

C29H29N3O3 — CID 2442028

IUPAC2-benzyl-N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
SMILESCOc1ccccc1OCCNC(=O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2
InChIInChI=1S/C29H29N3O3/c1-34-26-13-7-8-14-27(26)35-18-16-30-29(33)28-22-11-5-6-12-24(22)31-25-15-17-32(20-23(25)28)19-21-9-3-2-4-10-21/h2-14H,15-20H2,1H3,(H,30,33)
InChIKeyOCWVRGZUVNFZLF-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.61
Rot. Bonds8

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

2-benzyl-N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide (PubChem CID 2442028) has the molecular formula C29H29N3O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-benzyl-N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
PubChem CID2442028
Molecular FormulaC29H29N3O3
Molecular Weight467.57 g/mol
Exact Mass467.22
IUPAC Name2-benzyl-N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
SMILESCOc1ccccc1OCCNC(=O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2
InChIInChI=1S/C29H29N3O3/c1-34-26-13-7-8-14-27(26)35-18-16-30-29(33)28-22-11-5-6-12-24(22)31-25-15-17-32(20-23(25)28)19-21-9-3-2-4-10-21/h2-14H,15-20H2,1H3,(H,30,33)
InChIKeyOCWVRGZUVNFZLF-UHFFFAOYSA-N
XLogP4.61
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-N-[(2R)-6-methylheptan-2-yl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 2453404
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
N-(3,4-dimethoxyphenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804845
2-ethyl-N-(3-methylbutyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804812
N-(4,5-dimethoxy-2-methylphenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 26209459
2-ethyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804826
methyl 2-[[(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 108745296
[2-(2-fluoroanilino)-2-oxoethyl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23999332
2-ethyl-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 126771498
[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-oxo-2-(4-phenylphenyl)ethyl] 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 19057318

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The IUPAC name of 2-benzyl-N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide (CID 2442028) is 2-benzyl-N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide.
What is the SMILES notation for 2-benzyl-N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The canonical SMILES for 2-benzyl-N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide is COc1ccccc1OCCNC(=O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The InChIKey is OCWVRGZUVNFZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O3/c1-34-26-13-7-8-14-27(26)35-18-16-30-29(33)28-22-11-5-6-12-24(22)31-25-15-17-32(20-23(25)28)19-21-9-3-2-4-10-21/h2-14H,15-20H2,1H3,(H,30,33).
What are the key properties of 2-benzyl-N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
2-benzyl-N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide is sourced from PubChem (CID 2442028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).