4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzenecarboximidamide

C21H25N5O — CID 166886356

IUPAC4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCCc3cc(C(=O)N4CCCCC4)cnc32)cc1
InChIInChI=1S/C21H25N5O/c22-19(23)15-6-8-18(9-7-15)26-12-4-5-16-13-17(14-24-20(16)26)21(27)25-10-2-1-3-11-25/h6-9,13-14H,1-5,10-12H2,(H3,22,23)
InChIKeyVJOLETKZYBOQSO-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.08
Rot. Bonds3

About 4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzenecarboximidamide

4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzenecarboximidamide (PubChem CID 166886356) has the molecular formula C21H25N5O and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzenecarboximidamide
PubChem CID166886356
Molecular FormulaC21H25N5O
Molecular Weight363.46 g/mol
Exact Mass363.21
IUPAC Name4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCCc3cc(C(=O)N4CCCCC4)cnc32)cc1
InChIInChI=1S/C21H25N5O/c22-19(23)15-6-8-18(9-7-15)26-12-4-5-16-13-17(14-24-20(16)26)21(27)25-10-2-1-3-11-25/h6-9,13-14H,1-5,10-12H2,(H3,22,23)
InChIKeyVJOLETKZYBOQSO-UHFFFAOYSA-N
XLogP3.08
TPSA86.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzenecarboximidamide?
The IUPAC name of 4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzenecarboximidamide (CID 166886356) is 4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzenecarboximidamide.
What is the SMILES notation for 4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzenecarboximidamide?
The canonical SMILES for 4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCCc3cc(C(=O)N4CCCCC4)cnc32)cc1.
What is the InChIKey of 4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzenecarboximidamide?
The InChIKey is VJOLETKZYBOQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c22-19(23)15-6-8-18(9-7-15)26-12-4-5-16-13-17(14-24-20(16)26)21(27)25-10-2-1-3-11-25/h6-9,13-14H,1-5,10-12H2,(H3,22,23).
What are the key properties of 4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzenecarboximidamide?
4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzenecarboximidamide has a molecular weight of 363.46 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzenecarboximidamide is sourced from PubChem (CID 166886356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).