N-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1,8-naphthyridine-2-carboxamide

C19H21N3OS — CID 50952007

IUPACN-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1,8-naphthyridine-2-carboxamide
SMILESCCC(C)N(Cc1sccc1C)C(=O)c1ccc2cccnc2n1
InChIInChI=1S/C19H21N3OS/c1-4-14(3)22(12-17-13(2)9-11-24-17)19(23)16-8-7-15-6-5-10-20-18(15)21-16/h5-11,14H,4,12H2,1-3H3
InChIKeyFINIYNWPTJOEGU-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.44
Rot. Bonds5

About N-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1,8-naphthyridine-2-carboxamide

N-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1,8-naphthyridine-2-carboxamide (PubChem CID 50952007) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1,8-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1,8-naphthyridine-2-carboxamide
PubChem CID50952007
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1,8-naphthyridine-2-carboxamide
SMILESCCC(C)N(Cc1sccc1C)C(=O)c1ccc2cccnc2n1
InChIInChI=1S/C19H21N3OS/c1-4-14(3)22(12-17-13(2)9-11-24-17)19(23)16-8-7-15-6-5-10-20-18(15)21-16/h5-11,14H,4,12H2,1-3H3
InChIKeyFINIYNWPTJOEGU-UHFFFAOYSA-N
XLogP4.44
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-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

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1,8-naphthyridine-2-carboxamide?
The IUPAC name of N-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1,8-naphthyridine-2-carboxamide (CID 50952007) is N-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1,8-naphthyridine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1,8-naphthyridine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1,8-naphthyridine-2-carboxamide is CCC(C)N(Cc1sccc1C)C(=O)c1ccc2cccnc2n1.
What is the InChIKey of N-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1,8-naphthyridine-2-carboxamide?
The InChIKey is FINIYNWPTJOEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-4-14(3)22(12-17-13(2)9-11-24-17)19(23)16-8-7-15-6-5-10-20-18(15)21-16/h5-11,14H,4,12H2,1-3H3.
What are the key properties of N-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1,8-naphthyridine-2-carboxamide?
N-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1,8-naphthyridine-2-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[(3-methylthiophen-2-yl)methyl]-1,8-naphthyridine-2-carboxamide is sourced from PubChem (CID 50952007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).