N-ethyl-3-oxo-2-(2-phenylethyl)-7-propanoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

C22H27N3O3 — CID 176500068

IUPACN-ethyl-3-oxo-2-(2-phenylethyl)-7-propanoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCCNC(=O)c1c2c(cn(CCc3ccccc3)c1=O)CN(C(=O)CC)CC2
InChIInChI=1S/C22H27N3O3/c1-3-19(26)24-13-11-18-17(14-24)15-25(12-10-16-8-6-5-7-9-16)22(28)20(18)21(27)23-4-2/h5-9,15H,3-4,10-14H2,1-2H3,(H,23,27)
InChIKeyKMUZXTMTKRQUCS-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.14
Rot. Bonds6

About N-ethyl-3-oxo-2-(2-phenylethyl)-7-propanoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

N-ethyl-3-oxo-2-(2-phenylethyl)-7-propanoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (PubChem CID 176500068) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-ethyl-3-oxo-2-(2-phenylethyl)-7-propanoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-oxo-2-(2-phenylethyl)-7-propanoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
PubChem CID176500068
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-ethyl-3-oxo-2-(2-phenylethyl)-7-propanoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCCNC(=O)c1c2c(cn(CCc3ccccc3)c1=O)CN(C(=O)CC)CC2
InChIInChI=1S/C22H27N3O3/c1-3-19(26)24-13-11-18-17(14-24)15-25(12-10-16-8-6-5-7-9-16)22(28)20(18)21(27)23-4-2/h5-9,15H,3-4,10-14H2,1-2H3,(H,23,27)
InChIKeyKMUZXTMTKRQUCS-UHFFFAOYSA-N
XLogP2.14
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-oxo-2-(2-phenylethyl)-7-propanoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The IUPAC name of N-ethyl-3-oxo-2-(2-phenylethyl)-7-propanoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (CID 176500068) is N-ethyl-3-oxo-2-(2-phenylethyl)-7-propanoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-3-oxo-2-(2-phenylethyl)-7-propanoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The canonical SMILES for N-ethyl-3-oxo-2-(2-phenylethyl)-7-propanoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is CCNC(=O)c1c2c(cn(CCc3ccccc3)c1=O)CN(C(=O)CC)CC2.
What is the InChIKey of N-ethyl-3-oxo-2-(2-phenylethyl)-7-propanoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The InChIKey is KMUZXTMTKRQUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-3-19(26)24-13-11-18-17(14-24)15-25(12-10-16-8-6-5-7-9-16)22(28)20(18)21(27)23-4-2/h5-9,15H,3-4,10-14H2,1-2H3,(H,23,27).
What are the key properties of N-ethyl-3-oxo-2-(2-phenylethyl)-7-propanoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
N-ethyl-3-oxo-2-(2-phenylethyl)-7-propanoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-oxo-2-(2-phenylethyl)-7-propanoyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is sourced from PubChem (CID 176500068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).