N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]-2-methylpropanamide

C20H25N3O — CID 155554003

IUPACN-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]-2-methylpropanamide
SMILESCc1cccc(-c2nc(NC(=O)C(C)C)cc3c2CCCN3)c1C
InChIInChI=1S/C20H25N3O/c1-12(2)20(24)23-18-11-17-16(9-6-10-21-17)19(22-18)15-8-5-7-13(3)14(15)4/h5,7-8,11-12,21H,6,9-10H2,1-4H3,(H,22,23,24)
InChIKeyXAMZGAGTSQZVPO-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.32
Rot. Bonds3

About N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]-2-methylpropanamide

N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]-2-methylpropanamide (PubChem CID 155554003) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]-2-methylpropanamide
PubChem CID155554003
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]-2-methylpropanamide
SMILESCc1cccc(-c2nc(NC(=O)C(C)C)cc3c2CCCN3)c1C
InChIInChI=1S/C20H25N3O/c1-12(2)20(24)23-18-11-17-16(9-6-10-21-17)19(22-18)15-8-5-7-13(3)14(15)4/h5,7-8,11-12,21H,6,9-10H2,1-4H3,(H,22,23,24)
InChIKeyXAMZGAGTSQZVPO-UHFFFAOYSA-N
XLogP4.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]-2-methylpropanamide?
The IUPAC name of N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]-2-methylpropanamide (CID 155554003) is N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]-2-methylpropanamide is Cc1cccc(-c2nc(NC(=O)C(C)C)cc3c2CCCN3)c1C.
What is the InChIKey of N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]-2-methylpropanamide?
The InChIKey is XAMZGAGTSQZVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-12(2)20(24)23-18-11-17-16(9-6-10-21-17)19(22-18)15-8-5-7-13(3)14(15)4/h5,7-8,11-12,21H,6,9-10H2,1-4H3,(H,22,23,24).
What are the key properties of N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]-2-methylpropanamide?
N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]-2-methylpropanamide has a molecular weight of 323.44 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]-2-methylpropanamide is sourced from PubChem (CID 155554003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).