3-chloro-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxybenzamide

C18H20ClN3O2 — CID 18476147

IUPAC3-chloro-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cnc3c(c2)CNCC3(C)C)cc1Cl
InChIInChI=1S/C18H20ClN3O2/c1-18(2)10-20-8-12-6-13(9-21-16(12)18)22-17(23)11-4-5-15(24-3)14(19)7-11/h4-7,9,20H,8,10H2,1-3H3,(H,22,23)
InChIKeyVWUFKYZFMHBPSZ-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.38
Rot. Bonds3

About 3-chloro-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxybenzamide

3-chloro-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxybenzamide (PubChem CID 18476147) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-chloro-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxybenzamide
PubChem CID18476147
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name3-chloro-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cnc3c(c2)CNCC3(C)C)cc1Cl
InChIInChI=1S/C18H20ClN3O2/c1-18(2)10-20-8-12-6-13(9-21-16(12)18)22-17(23)11-4-5-15(24-3)14(19)7-11/h4-7,9,20H,8,10H2,1-3H3,(H,22,23)
InChIKeyVWUFKYZFMHBPSZ-UHFFFAOYSA-N
XLogP3.38
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxybenzamide?
The IUPAC name of 3-chloro-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxybenzamide (CID 18476147) is 3-chloro-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxybenzamide.
What is the SMILES notation for 3-chloro-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxybenzamide?
The canonical SMILES for 3-chloro-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cnc3c(c2)CNCC3(C)C)cc1Cl.
What is the InChIKey of 3-chloro-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxybenzamide?
The InChIKey is VWUFKYZFMHBPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-18(2)10-20-8-12-6-13(9-21-16(12)18)22-17(23)11-4-5-15(24-3)14(19)7-11/h4-7,9,20H,8,10H2,1-3H3,(H,22,23).
What are the key properties of 3-chloro-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxybenzamide?
3-chloro-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxybenzamide has a molecular weight of 345.83 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(8,8-dimethyl-6,7-dihydro-5H-1,6-naphthyridin-3-yl)-4-methoxybenzamide is sourced from PubChem (CID 18476147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).