N-[[2-(cyclohexa-1,5-dien-1-ylamino)-4-oxo-1-phenyl-1,6-naphthyridin-7-yl]methyl]-N-phenylacetamide;molecular hydrogen

C29H28N4O2 — CID 143113448

IUPACN-[[2-(cyclohexa-1,5-dien-1-ylamino)-4-oxo-1-phenyl-1,6-naphthyridin-7-yl]methyl]-N-phenylacetamide;molecular hydrogen
SMILESCC(=O)N(Cc1cc2c(cn1)c(=O)cc(NC1=CCCC=C1)n2-c1ccccc1)c1ccccc1.[H][H]
InChIInChI=1S/C29H26N4O2.H2/c1-21(34)32(24-13-7-3-8-14-24)20-23-17-27-26(19-30-23)28(35)18-29(31-22-11-5-2-6-12-22)33(27)25-15-9-4-10-16-25;/h3-5,7-19,31H,2,6,20H2,1H3;1H
InChIKeyZLWUNQABZLLCPQ-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.83
Rot. Bonds6

About N-[[2-(cyclohexa-1,5-dien-1-ylamino)-4-oxo-1-phenyl-1,6-naphthyridin-7-yl]methyl]-N-phenylacetamide;molecular hydrogen

N-[[2-(cyclohexa-1,5-dien-1-ylamino)-4-oxo-1-phenyl-1,6-naphthyridin-7-yl]methyl]-N-phenylacetamide;molecular hydrogen (PubChem CID 143113448) has the molecular formula C29H28N4O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[[2-(cyclohexa-1,5-dien-1-ylamino)-4-oxo-1-phenyl-1,6-naphthyridin-7-yl]methyl]-N-phenylacetamide;molecular hydrogen.

Molecular Properties

Compound NameN-[[2-(cyclohexa-1,5-dien-1-ylamino)-4-oxo-1-phenyl-1,6-naphthyridin-7-yl]methyl]-N-phenylacetamide;molecular hydrogen
PubChem CID143113448
Molecular FormulaC29H28N4O2
Molecular Weight464.57 g/mol
Exact Mass464.22
IUPAC NameN-[[2-(cyclohexa-1,5-dien-1-ylamino)-4-oxo-1-phenyl-1,6-naphthyridin-7-yl]methyl]-N-phenylacetamide;molecular hydrogen
SMILESCC(=O)N(Cc1cc2c(cn1)c(=O)cc(NC1=CCCC=C1)n2-c1ccccc1)c1ccccc1.[H][H]
InChIInChI=1S/C29H26N4O2.H2/c1-21(34)32(24-13-7-3-8-14-24)20-23-17-27-26(19-30-23)28(35)18-29(31-22-11-5-2-6-12-22)33(27)25-15-9-4-10-16-25;/h3-5,7-19,31H,2,6,20H2,1H3;1H
InChIKeyZLWUNQABZLLCPQ-UHFFFAOYSA-N
XLogP5.83
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclohexa-1,5-dien-1-ylamino)-4-oxo-1-phenyl-1,6-naphthyridin-7-yl]methyl]-N-phenylacetamide;molecular hydrogen?
The IUPAC name of N-[[2-(cyclohexa-1,5-dien-1-ylamino)-4-oxo-1-phenyl-1,6-naphthyridin-7-yl]methyl]-N-phenylacetamide;molecular hydrogen (CID 143113448) is N-[[2-(cyclohexa-1,5-dien-1-ylamino)-4-oxo-1-phenyl-1,6-naphthyridin-7-yl]methyl]-N-phenylacetamide;molecular hydrogen.
What is the SMILES notation for N-[[2-(cyclohexa-1,5-dien-1-ylamino)-4-oxo-1-phenyl-1,6-naphthyridin-7-yl]methyl]-N-phenylacetamide;molecular hydrogen?
The canonical SMILES for N-[[2-(cyclohexa-1,5-dien-1-ylamino)-4-oxo-1-phenyl-1,6-naphthyridin-7-yl]methyl]-N-phenylacetamide;molecular hydrogen is CC(=O)N(Cc1cc2c(cn1)c(=O)cc(NC1=CCCC=C1)n2-c1ccccc1)c1ccccc1.[H][H].
What is the InChIKey of N-[[2-(cyclohexa-1,5-dien-1-ylamino)-4-oxo-1-phenyl-1,6-naphthyridin-7-yl]methyl]-N-phenylacetamide;molecular hydrogen?
The InChIKey is ZLWUNQABZLLCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O2.H2/c1-21(34)32(24-13-7-3-8-14-24)20-23-17-27-26(19-30-23)28(35)18-29(31-22-11-5-2-6-12-22)33(27)25-15-9-4-10-16-25;/h3-5,7-19,31H,2,6,20H2,1H3;1H.
What are the key properties of N-[[2-(cyclohexa-1,5-dien-1-ylamino)-4-oxo-1-phenyl-1,6-naphthyridin-7-yl]methyl]-N-phenylacetamide;molecular hydrogen?
N-[[2-(cyclohexa-1,5-dien-1-ylamino)-4-oxo-1-phenyl-1,6-naphthyridin-7-yl]methyl]-N-phenylacetamide;molecular hydrogen has a molecular weight of 464.57 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclohexa-1,5-dien-1-ylamino)-4-oxo-1-phenyl-1,6-naphthyridin-7-yl]methyl]-N-phenylacetamide;molecular hydrogen is sourced from PubChem (CID 143113448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).