1-[7-(3-formylanilino)-2,6-naphthyridin-1-yl]piperidine-4-carbonitrile

C21H19N5O — CID 172600902

IUPAC1-[7-(3-formylanilino)-2,6-naphthyridin-1-yl]piperidine-4-carbonitrile
SMILESN#CC1CCN(c2nccc3cnc(Nc4cccc(C=O)c4)cc23)CC1
InChIInChI=1S/C21H19N5O/c22-12-15-5-8-26(9-6-15)21-19-11-20(24-13-17(19)4-7-23-21)25-18-3-1-2-16(10-18)14-27/h1-4,7,10-11,13-15H,5-6,8-9H2,(H,24,25)
InChIKeyZBCXUIYEAHJRMM-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.93
Rot. Bonds4

About 1-[7-(3-formylanilino)-2,6-naphthyridin-1-yl]piperidine-4-carbonitrile

1-[7-(3-formylanilino)-2,6-naphthyridin-1-yl]piperidine-4-carbonitrile (PubChem CID 172600902) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 1-[7-(3-formylanilino)-2,6-naphthyridin-1-yl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[7-(3-formylanilino)-2,6-naphthyridin-1-yl]piperidine-4-carbonitrile
PubChem CID172600902
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name1-[7-(3-formylanilino)-2,6-naphthyridin-1-yl]piperidine-4-carbonitrile
SMILESN#CC1CCN(c2nccc3cnc(Nc4cccc(C=O)c4)cc23)CC1
InChIInChI=1S/C21H19N5O/c22-12-15-5-8-26(9-6-15)21-19-11-20(24-13-17(19)4-7-23-21)25-18-3-1-2-16(10-18)14-27/h1-4,7,10-11,13-15H,5-6,8-9H2,(H,24,25)
InChIKeyZBCXUIYEAHJRMM-UHFFFAOYSA-N
XLogP3.93
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(3-formylanilino)-2,6-naphthyridin-1-yl]piperidine-4-carbonitrile?
The IUPAC name of 1-[7-(3-formylanilino)-2,6-naphthyridin-1-yl]piperidine-4-carbonitrile (CID 172600902) is 1-[7-(3-formylanilino)-2,6-naphthyridin-1-yl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[7-(3-formylanilino)-2,6-naphthyridin-1-yl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[7-(3-formylanilino)-2,6-naphthyridin-1-yl]piperidine-4-carbonitrile is N#CC1CCN(c2nccc3cnc(Nc4cccc(C=O)c4)cc23)CC1.
What is the InChIKey of 1-[7-(3-formylanilino)-2,6-naphthyridin-1-yl]piperidine-4-carbonitrile?
The InChIKey is ZBCXUIYEAHJRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c22-12-15-5-8-26(9-6-15)21-19-11-20(24-13-17(19)4-7-23-21)25-18-3-1-2-16(10-18)14-27/h1-4,7,10-11,13-15H,5-6,8-9H2,(H,24,25).
What are the key properties of 1-[7-(3-formylanilino)-2,6-naphthyridin-1-yl]piperidine-4-carbonitrile?
1-[7-(3-formylanilino)-2,6-naphthyridin-1-yl]piperidine-4-carbonitrile has a molecular weight of 357.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(3-formylanilino)-2,6-naphthyridin-1-yl]piperidine-4-carbonitrile is sourced from PubChem (CID 172600902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).