1-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide

C21H19N5O — CID 10066910

IUPAC1-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
SMILESN#Cc1cccc(-c2nc(N3CCC(C(N)=O)CC3)cc3cccnc23)c1
InChIInChI=1S/C21H19N5O/c22-13-14-3-1-4-16(11-14)20-19-17(5-2-8-24-19)12-18(25-20)26-9-6-15(7-10-26)21(23)27/h1-5,8,11-12,15H,6-7,9-10H2,(H2,23,27)
InChIKeyBTIQMRMFSUEDOT-UHFFFAOYSA-N
MW357.42 g/mol
LogP2.87
Rot. Bonds3

About 1-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide

1-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide (PubChem CID 10066910) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 1-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
PubChem CID10066910
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name1-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
SMILESN#Cc1cccc(-c2nc(N3CCC(C(N)=O)CC3)cc3cccnc23)c1
InChIInChI=1S/C21H19N5O/c22-13-14-3-1-4-16(11-14)20-19-17(5-2-8-24-19)12-18(25-20)26-9-6-15(7-10-26)21(23)27/h1-5,8,11-12,15H,6-7,9-10H2,(H2,23,27)
InChIKeyBTIQMRMFSUEDOT-UHFFFAOYSA-N
XLogP2.87
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide (CID 10066910) is 1-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide is N#Cc1cccc(-c2nc(N3CCC(C(N)=O)CC3)cc3cccnc23)c1.
What is the InChIKey of 1-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide?
The InChIKey is BTIQMRMFSUEDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c22-13-14-3-1-4-16(11-14)20-19-17(5-2-8-24-19)12-18(25-20)26-9-6-15(7-10-26)21(23)27/h1-5,8,11-12,15H,6-7,9-10H2,(H2,23,27).
What are the key properties of 1-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide?
1-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide is sourced from PubChem (CID 10066910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).