3,4,5-trimethoxy-N-(7-methyl-1,8-naphthyridin-2-yl)benzamide

C19H19N3O4 — CID 171913422

IUPAC3,4,5-trimethoxy-N-(7-methyl-1,8-naphthyridin-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc3ccc(C)nc3n2)cc(OC)c1OC
InChIInChI=1S/C19H19N3O4/c1-11-5-6-12-7-8-16(21-18(12)20-11)22-19(23)13-9-14(24-2)17(26-4)15(10-13)25-3/h5-10H,1-4H3,(H,20,21,22,23)
InChIKeyKZXAXESKJPSVML-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.22
Rot. Bonds5

About 3,4,5-trimethoxy-N-(7-methyl-1,8-naphthyridin-2-yl)benzamide

3,4,5-trimethoxy-N-(7-methyl-1,8-naphthyridin-2-yl)benzamide (PubChem CID 171913422) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(7-methyl-1,8-naphthyridin-2-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(7-methyl-1,8-naphthyridin-2-yl)benzamide
PubChem CID171913422
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name3,4,5-trimethoxy-N-(7-methyl-1,8-naphthyridin-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc3ccc(C)nc3n2)cc(OC)c1OC
InChIInChI=1S/C19H19N3O4/c1-11-5-6-12-7-8-16(21-18(12)20-11)22-19(23)13-9-14(24-2)17(26-4)15(10-13)25-3/h5-10H,1-4H3,(H,20,21,22,23)
InChIKeyKZXAXESKJPSVML-UHFFFAOYSA-N
XLogP3.22
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-(6-methoxy-2-pyridinyl)benzamide
CID 171387606
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
N-(4-bromo-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 127109293
N-(5-bromo-4-methyl-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 46307937
3,4,5-trimethoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
CID 113051733
3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 17395012
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
3,4,5-trimethoxy-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 35182220
N-[6-(butylamino)pyridazin-3-yl]-3,4,5-trimethoxybenzamide
CID 113038340
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
3,4,5-trimethoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzamide
CID 113044532
3,4,5-trimethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzamide
CID 113044658

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(7-methyl-1,8-naphthyridin-2-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(7-methyl-1,8-naphthyridin-2-yl)benzamide (CID 171913422) is 3,4,5-trimethoxy-N-(7-methyl-1,8-naphthyridin-2-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(7-methyl-1,8-naphthyridin-2-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(7-methyl-1,8-naphthyridin-2-yl)benzamide is COc1cc(C(=O)Nc2ccc3ccc(C)nc3n2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(7-methyl-1,8-naphthyridin-2-yl)benzamide?
The InChIKey is KZXAXESKJPSVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-11-5-6-12-7-8-16(21-18(12)20-11)22-19(23)13-9-14(24-2)17(26-4)15(10-13)25-3/h5-10H,1-4H3,(H,20,21,22,23).
What are the key properties of 3,4,5-trimethoxy-N-(7-methyl-1,8-naphthyridin-2-yl)benzamide?
3,4,5-trimethoxy-N-(7-methyl-1,8-naphthyridin-2-yl)benzamide has a molecular weight of 353.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(7-methyl-1,8-naphthyridin-2-yl)benzamide is sourced from PubChem (CID 171913422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).