N-(2,2-dimethylpropanoyl)-2,2-dimethyl-N-(2-oxo-3-propyl-1,8-naphthyridin-1-yl)propanamide

C21H29N3O3 — CID 139622487

IUPACN-(2,2-dimethylpropanoyl)-2,2-dimethyl-N-(2-oxo-3-propyl-1,8-naphthyridin-1-yl)propanamide
SMILESCCCc1cc2cccnc2n(N(C(=O)C(C)(C)C)C(=O)C(C)(C)C)c1=O
InChIInChI=1S/C21H29N3O3/c1-8-10-15-13-14-11-9-12-22-16(14)23(17(15)25)24(18(26)20(2,3)4)19(27)21(5,6)7/h9,11-13H,8,10H2,1-7H3
InChIKeyXPLSGLGYDMYBOY-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.43
Rot. Bonds3

About N-(2,2-dimethylpropanoyl)-2,2-dimethyl-N-(2-oxo-3-propyl-1,8-naphthyridin-1-yl)propanamide

N-(2,2-dimethylpropanoyl)-2,2-dimethyl-N-(2-oxo-3-propyl-1,8-naphthyridin-1-yl)propanamide (PubChem CID 139622487) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-(2,2-dimethylpropanoyl)-2,2-dimethyl-N-(2-oxo-3-propyl-1,8-naphthyridin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropanoyl)-2,2-dimethyl-N-(2-oxo-3-propyl-1,8-naphthyridin-1-yl)propanamide
PubChem CID139622487
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-(2,2-dimethylpropanoyl)-2,2-dimethyl-N-(2-oxo-3-propyl-1,8-naphthyridin-1-yl)propanamide
SMILESCCCc1cc2cccnc2n(N(C(=O)C(C)(C)C)C(=O)C(C)(C)C)c1=O
InChIInChI=1S/C21H29N3O3/c1-8-10-15-13-14-11-9-12-22-16(14)23(17(15)25)24(18(26)20(2,3)4)19(27)21(5,6)7/h9,11-13H,8,10H2,1-7H3
InChIKeyXPLSGLGYDMYBOY-UHFFFAOYSA-N
XLogP3.43
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-acetyl-N-(2-oxo-3-propyl-1,8-naphthyridin-1-yl)acetamide
CID 139622552
N-(3-ethyl-2-oxo-1,8-naphthyridin-1-yl)-N-propanoylpropanamide
CID 139622725
2,4-dichloro-N-(2,4-dichlorobenzoyl)-N-(3-ethyl-2-oxo-1,8-naphthyridin-1-yl)benzamide
CID 139622440
3-(4-hydroxybutyl)-1-methyl-1,8-naphthyridin-2-one
CID 14941472
N-(3-ethyl-2-sulfanylidene-1,8-naphthyridin-1-yl)-3-methyl-N-(3-methylbutanoyl)butanamide
CID 139622497
1-(benzylamino)-3-propyl-1,8-naphthyridine-2-thione
CID 139622295
1-(2-methylpropylamino)-3-propyl-1,8-naphthyridine-2-thione
CID 139622389
N-ethyl-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619354
3-ethyl-1-(hydroxymethylamino)-1,8-naphthyridine-2-thione
CID 139622430
N-hexadecanoyl-N-(3-methyl-2-sulfanylidene-1,8-naphthyridin-1-yl)hexadecanamide
CID 139622653
7-tert-butyl-6-propylquinoline;ethane;methane
CID 164925406
7-propylquinoline-8-carboxylic acid
CID 86190873

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropanoyl)-2,2-dimethyl-N-(2-oxo-3-propyl-1,8-naphthyridin-1-yl)propanamide?
The IUPAC name of N-(2,2-dimethylpropanoyl)-2,2-dimethyl-N-(2-oxo-3-propyl-1,8-naphthyridin-1-yl)propanamide (CID 139622487) is N-(2,2-dimethylpropanoyl)-2,2-dimethyl-N-(2-oxo-3-propyl-1,8-naphthyridin-1-yl)propanamide.
What is the SMILES notation for N-(2,2-dimethylpropanoyl)-2,2-dimethyl-N-(2-oxo-3-propyl-1,8-naphthyridin-1-yl)propanamide?
The canonical SMILES for N-(2,2-dimethylpropanoyl)-2,2-dimethyl-N-(2-oxo-3-propyl-1,8-naphthyridin-1-yl)propanamide is CCCc1cc2cccnc2n(N(C(=O)C(C)(C)C)C(=O)C(C)(C)C)c1=O.
What is the InChIKey of N-(2,2-dimethylpropanoyl)-2,2-dimethyl-N-(2-oxo-3-propyl-1,8-naphthyridin-1-yl)propanamide?
The InChIKey is XPLSGLGYDMYBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-8-10-15-13-14-11-9-12-22-16(14)23(17(15)25)24(18(26)20(2,3)4)19(27)21(5,6)7/h9,11-13H,8,10H2,1-7H3.
What are the key properties of N-(2,2-dimethylpropanoyl)-2,2-dimethyl-N-(2-oxo-3-propyl-1,8-naphthyridin-1-yl)propanamide?
N-(2,2-dimethylpropanoyl)-2,2-dimethyl-N-(2-oxo-3-propyl-1,8-naphthyridin-1-yl)propanamide has a molecular weight of 371.48 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropanoyl)-2,2-dimethyl-N-(2-oxo-3-propyl-1,8-naphthyridin-1-yl)propanamide is sourced from PubChem (CID 139622487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).