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

C18H17N3O — CID 146014962

IUPACN-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide
SMILESCC(=O)Nc1cc2ncccc2c(-c2cccc(C)c2C)n1
InChIInChI=1S/C18H17N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4-10H,1-3H3,(H,20,21,22)
InChIKeyPKMWVRXJFLQNGE-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.87
Rot. Bonds2

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

N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide (PubChem CID 146014962) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide
PubChem CID146014962
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide
SMILESCC(=O)Nc1cc2ncccc2c(-c2cccc(C)c2C)n1
InChIInChI=1S/C18H17N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4-10H,1-3H3,(H,20,21,22)
InChIKeyPKMWVRXJFLQNGE-UHFFFAOYSA-N
XLogP3.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide?
The IUPAC name of N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide (CID 146014962) is N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide.
What is the SMILES notation for N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide?
The canonical SMILES for N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide is CC(=O)Nc1cc2ncccc2c(-c2cccc(C)c2C)n1.
What is the InChIKey of N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide?
The InChIKey is PKMWVRXJFLQNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4-10H,1-3H3,(H,20,21,22).
What are the key properties of N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide?
N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide is sourced from PubChem (CID 146014962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).