N-(1-bicyclo[1.1.1]pentanyl)-6-(4-cyanophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C27H27N5O3 — CID 167335596

IUPACN-(1-bicyclo[1.1.1]pentanyl)-6-(4-cyanophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESN#Cc1ccc(-c2cnc3c(c2)cc(C(=O)NC24CC(C2)C4)c(=O)n3CCN2CCOCC2)cc1
InChIInChI=1S/C27H27N5O3/c28-16-18-1-3-20(4-2-18)22-11-21-12-23(25(33)30-27-13-19(14-27)15-27)26(34)32(24(21)29-17-22)6-5-31-7-9-35-10-8-31/h1-4,11-12,17,19H,5-10,13-15H2,(H,30,33)
InChIKeyFUDQXPHTQAJYNY-UHFFFAOYSA-N
MW469.55 g/mol
LogP2.55
Rot. Bonds6

About N-(1-bicyclo[1.1.1]pentanyl)-6-(4-cyanophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide

N-(1-bicyclo[1.1.1]pentanyl)-6-(4-cyanophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 167335596) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is N-(1-bicyclo[1.1.1]pentanyl)-6-(4-cyanophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-bicyclo[1.1.1]pentanyl)-6-(4-cyanophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID167335596
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC NameN-(1-bicyclo[1.1.1]pentanyl)-6-(4-cyanophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESN#Cc1ccc(-c2cnc3c(c2)cc(C(=O)NC24CC(C2)C4)c(=O)n3CCN2CCOCC2)cc1
InChIInChI=1S/C27H27N5O3/c28-16-18-1-3-20(4-2-18)22-11-21-12-23(25(33)30-27-13-19(14-27)15-27)26(34)32(24(21)29-17-22)6-5-31-7-9-35-10-8-31/h1-4,11-12,17,19H,5-10,13-15H2,(H,30,33)
InChIKeyFUDQXPHTQAJYNY-UHFFFAOYSA-N
XLogP2.55
TPSA100.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-6-(4-cyanophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-6-(4-cyanophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 167335596) is N-(1-bicyclo[1.1.1]pentanyl)-6-(4-cyanophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(1-bicyclo[1.1.1]pentanyl)-6-(4-cyanophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(1-bicyclo[1.1.1]pentanyl)-6-(4-cyanophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is N#Cc1ccc(-c2cnc3c(c2)cc(C(=O)NC24CC(C2)C4)c(=O)n3CCN2CCOCC2)cc1.
What is the InChIKey of N-(1-bicyclo[1.1.1]pentanyl)-6-(4-cyanophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is FUDQXPHTQAJYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3/c28-16-18-1-3-20(4-2-18)22-11-21-12-23(25(33)30-27-13-19(14-27)15-27)26(34)32(24(21)29-17-22)6-5-31-7-9-35-10-8-31/h1-4,11-12,17,19H,5-10,13-15H2,(H,30,33).
What are the key properties of N-(1-bicyclo[1.1.1]pentanyl)-6-(4-cyanophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
N-(1-bicyclo[1.1.1]pentanyl)-6-(4-cyanophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[1.1.1]pentanyl)-6-(4-cyanophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 167335596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).