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

C25H26N4O2 — CID 143113447

IUPAC2-(cyclohexa-1,5-dien-1-ylamino)-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-1,6-naphthyridin-4-one;molecular hydrogen
SMILESO=C1CCCN1Cc1cc2c(cn1)c(=O)cc(NC1=CCCC=C1)n2-c1ccccc1.[H][H]
InChIInChI=1S/C25H24N4O2.H2/c30-23-15-24(27-18-8-3-1-4-9-18)29(20-10-5-2-6-11-20)22-14-19(26-16-21(22)23)17-28-13-7-12-25(28)31;/h2-3,5-6,8-11,14-16,27H,1,4,7,12-13,17H2;1H
InChIKeyODIIWLOADNTZCY-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.40
Rot. Bonds5

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

2-(cyclohexa-1,5-dien-1-ylamino)-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-1,6-naphthyridin-4-one;molecular hydrogen (PubChem CID 143113447) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-(cyclohexa-1,5-dien-1-ylamino)-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-1,6-naphthyridin-4-one;molecular hydrogen.

Molecular Properties

Compound Name2-(cyclohexa-1,5-dien-1-ylamino)-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-1,6-naphthyridin-4-one;molecular hydrogen
PubChem CID143113447
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name2-(cyclohexa-1,5-dien-1-ylamino)-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-1,6-naphthyridin-4-one;molecular hydrogen
SMILESO=C1CCCN1Cc1cc2c(cn1)c(=O)cc(NC1=CCCC=C1)n2-c1ccccc1.[H][H]
InChIInChI=1S/C25H24N4O2.H2/c30-23-15-24(27-18-8-3-1-4-9-18)29(20-10-5-2-6-11-20)22-14-19(26-16-21(22)23)17-28-13-7-12-25(28)31;/h2-3,5-6,8-11,14-16,27H,1,4,7,12-13,17H2;1H
InChIKeyODIIWLOADNTZCY-UHFFFAOYSA-N
XLogP4.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexa-1,5-dien-1-ylamino)-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-1,6-naphthyridin-4-one;molecular hydrogen?
The IUPAC name of 2-(cyclohexa-1,5-dien-1-ylamino)-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-1,6-naphthyridin-4-one;molecular hydrogen (CID 143113447) is 2-(cyclohexa-1,5-dien-1-ylamino)-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-1,6-naphthyridin-4-one;molecular hydrogen.
What is the SMILES notation for 2-(cyclohexa-1,5-dien-1-ylamino)-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-1,6-naphthyridin-4-one;molecular hydrogen?
The canonical SMILES for 2-(cyclohexa-1,5-dien-1-ylamino)-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-1,6-naphthyridin-4-one;molecular hydrogen is O=C1CCCN1Cc1cc2c(cn1)c(=O)cc(NC1=CCCC=C1)n2-c1ccccc1.[H][H].
What is the InChIKey of 2-(cyclohexa-1,5-dien-1-ylamino)-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-1,6-naphthyridin-4-one;molecular hydrogen?
The InChIKey is ODIIWLOADNTZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2.H2/c30-23-15-24(27-18-8-3-1-4-9-18)29(20-10-5-2-6-11-20)22-14-19(26-16-21(22)23)17-28-13-7-12-25(28)31;/h2-3,5-6,8-11,14-16,27H,1,4,7,12-13,17H2;1H.
What are the key properties of 2-(cyclohexa-1,5-dien-1-ylamino)-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-1,6-naphthyridin-4-one;molecular hydrogen?
2-(cyclohexa-1,5-dien-1-ylamino)-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-1,6-naphthyridin-4-one;molecular hydrogen has a molecular weight of 414.51 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexa-1,5-dien-1-ylamino)-7-[(2-oxopyrrolidin-1-yl)methyl]-1-phenyl-1,6-naphthyridin-4-one;molecular hydrogen is sourced from PubChem (CID 143113447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).