N-[(1S,5R)-3-(5-ethylthiophene-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,8-naphthyridine-2-carboxamide

C21H20N4O2S — CID 138048512

IUPACN-[(1S,5R)-3-(5-ethylthiophene-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,8-naphthyridine-2-carboxamide
SMILESCCc1ccc(C(=O)N2C[C@@H]3C(NC(=O)c4ccc5cccnc5n4)[C@@H]3C2)s1
InChIInChI=1S/C21H20N4O2S/c1-2-13-6-8-17(28-13)21(27)25-10-14-15(11-25)18(14)24-20(26)16-7-5-12-4-3-9-22-19(12)23-16/h3-9,14-15,18H,2,10-11H2,1H3,(H,24,26)/t14-,15+,18?
InChIKeyBHGXCQNGEUUDSJ-MVVMVCHASA-N
MW392.48 g/mol
LogP2.75
Rot. Bonds4

About N-[(1S,5R)-3-(5-ethylthiophene-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,8-naphthyridine-2-carboxamide

N-[(1S,5R)-3-(5-ethylthiophene-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,8-naphthyridine-2-carboxamide (PubChem CID 138048512) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[(1S,5R)-3-(5-ethylthiophene-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,8-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,5R)-3-(5-ethylthiophene-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,8-naphthyridine-2-carboxamide
PubChem CID138048512
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN-[(1S,5R)-3-(5-ethylthiophene-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,8-naphthyridine-2-carboxamide
SMILESCCc1ccc(C(=O)N2C[C@@H]3C(NC(=O)c4ccc5cccnc5n4)[C@@H]3C2)s1
InChIInChI=1S/C21H20N4O2S/c1-2-13-6-8-17(28-13)21(27)25-10-14-15(11-25)18(14)24-20(26)16-7-5-12-4-3-9-22-19(12)23-16/h3-9,14-15,18H,2,10-11H2,1H3,(H,24,26)/t14-,15+,18?
InChIKeyBHGXCQNGEUUDSJ-MVVMVCHASA-N
XLogP2.75
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S,5R)-3-(5-ethylthiophene-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,8-naphthyridine-2-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

[(3aR,4R,7S,7aS)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl]-(1,8-naphthyridin-2-yl)methanone
CID 56866391
N-cyclobutyl-1,8-naphthyridine-2-carboxamide
CID 177046765
N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-1,8-naphthyridine-2-carboxamide
CID 50969169
(5-ethylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17249502
(2,6-dimethylmorpholin-4-yl)-(5-ethylthiophen-2-yl)methanone
CID 25237007
(5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224288
(5-ethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900661
1-[(3aR,6aS)-2-(1,8-naphthyridine-2-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-cyclopropylpropan-1-one
CID 167811149
(3-aminopyrrolidin-1-yl)-(5-ethylthiophen-2-yl)methanone
CID 62067194
1-(5-ethylthiophen-2-yl)-2-quinolin-7-yloxyethanone
CID 107314235
(5-ethylthiophen-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 95381708
(5-ethylthiophen-2-yl)-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97285073

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-3-(5-ethylthiophene-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,8-naphthyridine-2-carboxamide?
The IUPAC name of N-[(1S,5R)-3-(5-ethylthiophene-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,8-naphthyridine-2-carboxamide (CID 138048512) is N-[(1S,5R)-3-(5-ethylthiophene-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,8-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,5R)-3-(5-ethylthiophene-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,8-naphthyridine-2-carboxamide?
The canonical SMILES for N-[(1S,5R)-3-(5-ethylthiophene-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,8-naphthyridine-2-carboxamide is CCc1ccc(C(=O)N2C[C@@H]3C(NC(=O)c4ccc5cccnc5n4)[C@@H]3C2)s1.
What is the InChIKey of N-[(1S,5R)-3-(5-ethylthiophene-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,8-naphthyridine-2-carboxamide?
The InChIKey is BHGXCQNGEUUDSJ-MVVMVCHASA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-2-13-6-8-17(28-13)21(27)25-10-14-15(11-25)18(14)24-20(26)16-7-5-12-4-3-9-22-19(12)23-16/h3-9,14-15,18H,2,10-11H2,1H3,(H,24,26)/t14-,15+,18?.
What are the key properties of N-[(1S,5R)-3-(5-ethylthiophene-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,8-naphthyridine-2-carboxamide?
N-[(1S,5R)-3-(5-ethylthiophene-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,8-naphthyridine-2-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-3-(5-ethylthiophene-2-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,8-naphthyridine-2-carboxamide is sourced from PubChem (CID 138048512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).