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

C21H25N3O — CID 155521900

IUPACN-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]cyclobutanecarboxamide
SMILESCc1cccc(-c2nc(NC(=O)C3CCC3)cc3c2CCCN3)c1C
InChIInChI=1S/C21H25N3O/c1-13-6-3-9-16(14(13)2)20-17-10-5-11-22-18(17)12-19(23-20)24-21(25)15-7-4-8-15/h3,6,9,12,15,22H,4-5,7-8,10-11H2,1-2H3,(H,23,24,25)
InChIKeyMKAONUIWRXVYBN-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.46
Rot. Bonds3

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

N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]cyclobutanecarboxamide (PubChem CID 155521900) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]cyclobutanecarboxamide
PubChem CID155521900
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]cyclobutanecarboxamide
SMILESCc1cccc(-c2nc(NC(=O)C3CCC3)cc3c2CCCN3)c1C
InChIInChI=1S/C21H25N3O/c1-13-6-3-9-16(14(13)2)20-17-10-5-11-22-18(17)12-19(23-20)24-21(25)15-7-4-8-15/h3,6,9,12,15,22H,4-5,7-8,10-11H2,1-2H3,(H,23,24,25)
InChIKeyMKAONUIWRXVYBN-UHFFFAOYSA-N
XLogP4.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.46
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]cyclobutanecarboxamide?
The IUPAC name of N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]cyclobutanecarboxamide (CID 155521900) is N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]cyclobutanecarboxamide is Cc1cccc(-c2nc(NC(=O)C3CCC3)cc3c2CCCN3)c1C.
What is the InChIKey of N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]cyclobutanecarboxamide?
The InChIKey is MKAONUIWRXVYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-13-6-3-9-16(14(13)2)20-17-10-5-11-22-18(17)12-19(23-20)24-21(25)15-7-4-8-15/h3,6,9,12,15,22H,4-5,7-8,10-11H2,1-2H3,(H,23,24,25).
What are the key properties of N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]cyclobutanecarboxamide?
N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]cyclobutanecarboxamide has a molecular weight of 335.45 g/mol, XLogP of 4.46, 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]cyclobutanecarboxamide is sourced from PubChem (CID 155521900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).