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

C25H31N3O — CID 108792860

IUPACN-(1-adamantyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
SMILESCCN1CCc2nc3ccccc3c(C(=O)NC34CC5CC(CC(C5)C3)C4)c2C1
InChIInChI=1S/C25H31N3O/c1-2-28-8-7-22-20(15-28)23(19-5-3-4-6-21(19)26-22)24(29)27-25-12-16-9-17(13-25)11-18(10-16)14-25/h3-6,16-18H,2,7-15H2,1H3,(H,27,29)
InChIKeyOZPIYTRPSBSHPJ-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.31
Rot. Bonds3

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

N-(1-adamantyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide (PubChem CID 108792860) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is N-(1-adamantyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
PubChem CID108792860
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC NameN-(1-adamantyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
SMILESCCN1CCc2nc3ccccc3c(C(=O)NC34CC5CC(CC(C5)C3)C4)c2C1
InChIInChI=1S/C25H31N3O/c1-2-28-8-7-22-20(15-28)23(19-5-3-4-6-21(19)26-22)24(29)27-25-12-16-9-17(13-25)11-18(10-16)14-25/h3-6,16-18H,2,7-15H2,1H3,(H,27,29)
InChIKeyOZPIYTRPSBSHPJ-UHFFFAOYSA-N
XLogP4.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804890
N-(2,6-difluorophenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792780
2-ethyl-N-(3-methylbutyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804812
N-(2-cyanophenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792712
N-(4,5-dimethoxy-2-methylphenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 26209459
4-amino-2-[(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)amino]-4-oxobutanoic acid
CID 108804809
2-ethyl-N-[1-(2-methylphenyl)ethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 18083356
2-ethyl-N-(2-phenylsulfanylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792762
2-ethyl-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 126771498
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804895
N-(4-chloro-2-pyridinyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792777
N-(3,4-dimethoxyphenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804845

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The IUPAC name of N-(1-adamantyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide (CID 108792860) is N-(1-adamantyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The canonical SMILES for N-(1-adamantyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide is CCN1CCc2nc3ccccc3c(C(=O)NC34CC5CC(CC(C5)C3)C4)c2C1.
What is the InChIKey of N-(1-adamantyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The InChIKey is OZPIYTRPSBSHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-2-28-8-7-22-20(15-28)23(19-5-3-4-6-21(19)26-22)24(29)27-25-12-16-9-17(13-25)11-18(10-16)14-25/h3-6,16-18H,2,7-15H2,1H3,(H,27,29).
What are the key properties of N-(1-adamantyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
N-(1-adamantyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide is sourced from PubChem (CID 108792860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).