1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-methylpiperidine-4-carboxamide

C20H20ClN5O — CID 46899715

IUPAC1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nc(-c3ccnc(Cl)c3)cc3cnccc23)CC1
InChIInChI=1S/C20H20ClN5O/c1-22-20(27)13-4-8-26(9-5-13)19-16-3-6-23-12-15(16)10-17(25-19)14-2-7-24-18(21)11-14/h2-3,6-7,10-13H,4-5,8-9H2,1H3,(H,22,27)
InChIKeyXVBQUFOIPQJFOU-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.31
Rot. Bonds3

About 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-methylpiperidine-4-carboxamide

1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-methylpiperidine-4-carboxamide (PubChem CID 46899715) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-methylpiperidine-4-carboxamide
PubChem CID46899715
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nc(-c3ccnc(Cl)c3)cc3cnccc23)CC1
InChIInChI=1S/C20H20ClN5O/c1-22-20(27)13-4-8-26(9-5-13)19-16-3-6-23-12-15(16)10-17(25-19)14-2-7-24-18(21)11-14/h2-3,6-7,10-13H,4-5,8-9H2,1H3,(H,22,27)
InChIKeyXVBQUFOIPQJFOU-UHFFFAOYSA-N
XLogP3.31
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-methylpiperidine-4-carboxamide (CID 46899715) is 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2nc(-c3ccnc(Cl)c3)cc3cnccc23)CC1.
What is the InChIKey of 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-methylpiperidine-4-carboxamide?
The InChIKey is XVBQUFOIPQJFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c1-22-20(27)13-4-8-26(9-5-13)19-16-3-6-23-12-15(16)10-17(25-19)14-2-7-24-18(21)11-14/h2-3,6-7,10-13H,4-5,8-9H2,1H3,(H,22,27).
What are the key properties of 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-methylpiperidine-4-carboxamide?
1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-methylpiperidine-4-carboxamide has a molecular weight of 381.87 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 46899715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).