N-[5-(dimethylamino)pentan-2-yl]-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide

C21H28N4O2S — CID 91949554

IUPACN-[5-(dimethylamino)pentan-2-yl]-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
SMILESCC(CCCN(C)C)NC(=O)C1CN(C(=O)c2cccs2)Cc2cccnc21
InChIInChI=1S/C21H28N4O2S/c1-15(7-5-11-24(2)3)23-20(26)17-14-25(21(27)18-9-6-12-28-18)13-16-8-4-10-22-19(16)17/h4,6,8-10,12,15,17H,5,7,11,13-14H2,1-3H3,(H,23,26)
InChIKeyWNWIUEAAWRXUMO-UHFFFAOYSA-N
MW400.55 g/mol
LogP2.73
Rot. Bonds7

About N-[5-(dimethylamino)pentan-2-yl]-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide

N-[5-(dimethylamino)pentan-2-yl]-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide (PubChem CID 91949554) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is N-[5-(dimethylamino)pentan-2-yl]-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylamino)pentan-2-yl]-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
PubChem CID91949554
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC NameN-[5-(dimethylamino)pentan-2-yl]-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
SMILESCC(CCCN(C)C)NC(=O)C1CN(C(=O)c2cccs2)Cc2cccnc21
InChIInChI=1S/C21H28N4O2S/c1-15(7-5-11-24(2)3)23-20(26)17-14-25(21(27)18-9-6-12-28-18)13-16-8-4-10-22-19(16)17/h4,6,8-10,12,15,17H,5,7,11,13-14H2,1-3H3,(H,23,26)
InChIKeyWNWIUEAAWRXUMO-UHFFFAOYSA-N
XLogP2.73
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(dimethylamino)pentan-2-yl]-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylamino)pentan-2-yl]-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide?
The IUPAC name of N-[5-(dimethylamino)pentan-2-yl]-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide (CID 91949554) is N-[5-(dimethylamino)pentan-2-yl]-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide.
What is the SMILES notation for N-[5-(dimethylamino)pentan-2-yl]-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide?
The canonical SMILES for N-[5-(dimethylamino)pentan-2-yl]-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide is CC(CCCN(C)C)NC(=O)C1CN(C(=O)c2cccs2)Cc2cccnc21.
What is the InChIKey of N-[5-(dimethylamino)pentan-2-yl]-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide?
The InChIKey is WNWIUEAAWRXUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-15(7-5-11-24(2)3)23-20(26)17-14-25(21(27)18-9-6-12-28-18)13-16-8-4-10-22-19(16)17/h4,6,8-10,12,15,17H,5,7,11,13-14H2,1-3H3,(H,23,26).
What are the key properties of N-[5-(dimethylamino)pentan-2-yl]-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide?
N-[5-(dimethylamino)pentan-2-yl]-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide has a molecular weight of 400.55 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylamino)pentan-2-yl]-6-(thiophene-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide is sourced from PubChem (CID 91949554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).