N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide

C23H27N5OS — CID 108804895

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
SMILESCCN1CCc2nc3ccccc3c(C(=O)Nc3nnc(C4CCCCC4)s3)c2C1
InChIInChI=1S/C23H27N5OS/c1-2-28-13-12-19-17(14-28)20(16-10-6-7-11-18(16)24-19)21(29)25-23-27-26-22(30-23)15-8-4-3-5-9-15/h6-7,10-11,15H,2-5,8-9,12-14H2,1H3,(H,25,27,29)
InChIKeyKFSWFOSZNOLUPK-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.76
Rot. Bonds4

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide (PubChem CID 108804895) has the molecular formula C23H27N5OS and a molecular weight of 421.57 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
PubChem CID108804895
Molecular FormulaC23H27N5OS
Molecular Weight421.57 g/mol
Exact Mass421.19
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
SMILESCCN1CCc2nc3ccccc3c(C(=O)Nc3nnc(C4CCCCC4)s3)c2C1
InChIInChI=1S/C23H27N5OS/c1-2-28-13-12-19-17(14-28)20(16-10-6-7-11-18(16)24-19)21(29)25-23-27-26-22(30-23)15-8-4-3-5-9-15/h6-7,10-11,15H,2-5,8-9,12-14H2,1H3,(H,25,27,29)
InChIKeyKFSWFOSZNOLUPK-UHFFFAOYSA-N
XLogP4.76
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108732851
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-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl] 2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23971590
N-(2,6-difluorophenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792780
methyl 2-[[(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 108745296
N-(1-adamantyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792860
N-(2-cyanophenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792712
N-(3,4-dimethoxyphenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804845
2-ethyl-N-(2-phenylsulfanylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792762
N-(4-chloro-2-pyridinyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792777
N-(4,5-dimethoxy-2-methylphenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 26209459

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide (CID 108804895) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide is CCN1CCc2nc3ccccc3c(C(=O)Nc3nnc(C4CCCCC4)s3)c2C1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The InChIKey is KFSWFOSZNOLUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5OS/c1-2-28-13-12-19-17(14-28)20(16-10-6-7-11-18(16)24-19)21(29)25-23-27-26-22(30-23)15-8-4-3-5-9-15/h6-7,10-11,15H,2-5,8-9,12-14H2,1H3,(H,25,27,29).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide has a molecular weight of 421.57 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide is sourced from PubChem (CID 108804895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).