N-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide

C17H19N3O3 — CID 112520892

IUPACN-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cncc3c2CCNC3)c1
InChIInChI=1S/C17H19N3O3/c1-22-12-3-4-16(23-2)15(7-12)20-17(21)14-10-19-9-11-8-18-6-5-13(11)14/h3-4,7,9-10,18H,5-6,8H2,1-2H3,(H,20,21)
InChIKeyYRPWLGXJGDIGSK-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.00
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide

N-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide (PubChem CID 112520892) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide
PubChem CID112520892
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cncc3c2CCNC3)c1
InChIInChI=1S/C17H19N3O3/c1-22-12-3-4-16(23-2)15(7-12)20-17(21)14-10-19-9-11-8-18-6-5-13(11)14/h3-4,7,9-10,18H,5-6,8H2,1-2H3,(H,20,21)
InChIKeyYRPWLGXJGDIGSK-UHFFFAOYSA-N
XLogP2.00
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide
CID 112529278
N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557860
N-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydropyridine-5-carboxamide
CID 13059822
N-(2,5-dimethoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 115645348
N-(2-methyl-1H-indol-5-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide
CID 112526134
N-(2,5-dimethoxyphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102951
N-(2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918722
methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 16585566
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808436
3-N-(2,5-dimethoxyphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106788
N-(2,5-dimethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250215
N-(2,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 4011159

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide (CID 112520892) is N-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide is COc1ccc(OC)c(NC(=O)c2cncc3c2CCNC3)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide?
The InChIKey is YRPWLGXJGDIGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-22-12-3-4-16(23-2)15(7-12)20-17(21)14-10-19-9-11-8-18-6-5-13(11)14/h3-4,7,9-10,18H,5-6,8H2,1-2H3,(H,20,21).
What are the key properties of N-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide?
N-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide is sourced from PubChem (CID 112520892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).