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

C19H18ClN5O — CID 46899714

IUPAC1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccnc(Cl)c3)cc3cnccc23)CC1
InChIInChI=1S/C19H18ClN5O/c20-17-10-13(1-6-23-17)16-9-14-11-22-5-2-15(14)19(24-16)25-7-3-12(4-8-25)18(21)26/h1-2,5-6,9-12H,3-4,7-8H2,(H2,21,26)
InChIKeyNRLLLKSBIJIAMU-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.05
Rot. Bonds3

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

1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxamide (PubChem CID 46899714) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxamide
PubChem CID46899714
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccnc(Cl)c3)cc3cnccc23)CC1
InChIInChI=1S/C19H18ClN5O/c20-17-10-13(1-6-23-17)16-9-14-11-22-5-2-15(14)19(24-16)25-7-3-12(4-8-25)18(21)26/h1-2,5-6,9-12H,3-4,7-8H2,(H2,21,26)
InChIKeyNRLLLKSBIJIAMU-UHFFFAOYSA-N
XLogP3.05
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.05
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]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxamide (CID 46899714) is 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2nc(-c3ccnc(Cl)c3)cc3cnccc23)CC1.
What is the InChIKey of 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxamide?
The InChIKey is NRLLLKSBIJIAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c20-17-10-13(1-6-23-17)16-9-14-11-22-5-2-15(14)19(24-16)25-7-3-12(4-8-25)18(21)26/h1-2,5-6,9-12H,3-4,7-8H2,(H2,21,26).
What are the key properties of 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxamide?
1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 3.05, 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]piperidine-4-carboxamide is sourced from PubChem (CID 46899714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).