6-[5-(2-acetamidophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C22H21N5O2 — CID 86306011

IUPAC6-[5-(2-acetamidophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(=O)Nc1ccccc1-c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C22H21N5O2/c1-14(28)26-20-7-3-2-6-19(20)18-10-16(11-24-12-18)17-9-15-5-4-8-27(22(23)29)21(15)25-13-17/h2-3,6-7,9-13H,4-5,8H2,1H3,(H2,23,29)(H,26,28)
InChIKeyDFATXJNDBADFQL-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.60
Rot. Bonds3

About 6-[5-(2-acetamidophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-[5-(2-acetamidophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 86306011) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 6-[5-(2-acetamidophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[5-(2-acetamidophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID86306011
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name6-[5-(2-acetamidophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(=O)Nc1ccccc1-c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C22H21N5O2/c1-14(28)26-20-7-3-2-6-19(20)18-10-16(11-24-12-18)17-9-15-5-4-8-27(22(23)29)21(15)25-13-17/h2-3,6-7,9-13H,4-5,8H2,1H3,(H2,23,29)(H,26,28)
InChIKeyDFATXJNDBADFQL-UHFFFAOYSA-N
XLogP3.60
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[5-(2-acetamidophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-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 6-[5-(2-acetamidophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[5-(2-acetamidophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 86306011) is 6-[5-(2-acetamidophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[5-(2-acetamidophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[5-(2-acetamidophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC(=O)Nc1ccccc1-c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.
What is the InChIKey of 6-[5-(2-acetamidophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is DFATXJNDBADFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-14(28)26-20-7-3-2-6-19(20)18-10-16(11-24-12-18)17-9-15-5-4-8-27(22(23)29)21(15)25-13-17/h2-3,6-7,9-13H,4-5,8H2,1H3,(H2,23,29)(H,26,28).
What are the key properties of 6-[5-(2-acetamidophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[5-(2-acetamidophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-acetamidophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 86306011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).