N-[(3,4-dimethoxyphenyl)methyl]-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide

C27H29N3O5 — CID 134807613

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
SMILESCOc1ccccc1CC(=O)N1CCCc2ncc(C(=O)NCc3ccc(OC)c(OC)c3)cc21
InChIInChI=1S/C27H29N3O5/c1-33-23-9-5-4-7-19(23)15-26(31)30-12-6-8-21-22(30)14-20(17-28-21)27(32)29-16-18-10-11-24(34-2)25(13-18)35-3/h4-5,7,9-11,13-14,17H,6,8,12,15-16H2,1-3H3,(H,29,32)
InChIKeyWHDYPWDUJWTLNV-UHFFFAOYSA-N
MW475.55 g/mol
LogP3.56
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (PubChem CID 134807613) has the molecular formula C27H29N3O5 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
PubChem CID134807613
Molecular FormulaC27H29N3O5
Molecular Weight475.55 g/mol
Exact Mass475.21
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
SMILESCOc1ccccc1CC(=O)N1CCCc2ncc(C(=O)NCc3ccc(OC)c(OC)c3)cc21
InChIInChI=1S/C27H29N3O5/c1-33-23-9-5-4-7-19(23)15-26(31)30-12-6-8-21-22(30)14-20(17-28-21)27(32)29-16-18-10-11-24(34-2)25(13-18)35-3/h4-5,7,9-11,13-14,17H,6,8,12,15-16H2,1-3H3,(H,29,32)
InChIKeyWHDYPWDUJWTLNV-UHFFFAOYSA-N
XLogP3.56
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (CID 134807613) is N-[(3,4-dimethoxyphenyl)methyl]-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is COc1ccccc1CC(=O)N1CCCc2ncc(C(=O)NCc3ccc(OC)c(OC)c3)cc21.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The InChIKey is WHDYPWDUJWTLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O5/c1-33-23-9-5-4-7-19(23)15-26(31)30-12-6-8-21-22(30)14-20(17-28-21)27(32)29-16-18-10-11-24(34-2)25(13-18)35-3/h4-5,7,9-11,13-14,17H,6,8,12,15-16H2,1-3H3,(H,29,32).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-5-[2-(2-methoxyphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 134807613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).