N-[(3,5-dimethoxyphenyl)methyl]-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide

C27H29N3O4 — CID 134806415

IUPACN-[(3,5-dimethoxyphenyl)methyl]-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
SMILESCOc1cc(CNC(=O)c2cnc3c(c2)N(C(=O)CCc2ccccc2)CCC3)cc(OC)c1
InChIInChI=1S/C27H29N3O4/c1-33-22-13-20(14-23(16-22)34-2)17-29-27(32)21-15-25-24(28-18-21)9-6-12-30(25)26(31)11-10-19-7-4-3-5-8-19/h3-5,7-8,13-16,18H,6,9-12,17H2,1-2H3,(H,29,32)
InChIKeySKPDPVDYUOSRRW-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.94
Rot. Bonds8

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

N-[(3,5-dimethoxyphenyl)methyl]-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (PubChem CID 134806415) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
PubChem CID134806415
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
SMILESCOc1cc(CNC(=O)c2cnc3c(c2)N(C(=O)CCc2ccccc2)CCC3)cc(OC)c1
InChIInChI=1S/C27H29N3O4/c1-33-22-13-20(14-23(16-22)34-2)17-29-27(32)21-15-25-24(28-18-21)9-6-12-30(25)26(31)11-10-19-7-4-3-5-8-19/h3-5,7-8,13-16,18H,6,9-12,17H2,1-2H3,(H,29,32)
InChIKeySKPDPVDYUOSRRW-UHFFFAOYSA-N
XLogP3.94
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (CID 134806415) is N-[(3,5-dimethoxyphenyl)methyl]-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is COc1cc(CNC(=O)c2cnc3c(c2)N(C(=O)CCc2ccccc2)CCC3)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The InChIKey is SKPDPVDYUOSRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-33-22-13-20(14-23(16-22)34-2)17-29-27(32)21-15-25-24(28-18-21)9-6-12-30(25)26(31)11-10-19-7-4-3-5-8-19/h3-5,7-8,13-16,18H,6,9-12,17H2,1-2H3,(H,29,32).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
N-[(3,5-dimethoxyphenyl)methyl]-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-5-(3-phenylpropanoyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 134806415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).