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

C22H24ClN5O — CID 46899717

IUPAC1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(c2nc(-c3ccnc(Cl)c3)cc3cnccc23)CC1
InChIInChI=1S/C22H24ClN5O/c1-14(2)26-22(29)15-5-9-28(10-6-15)21-18-4-7-24-13-17(18)11-19(27-21)16-3-8-25-20(23)12-16/h3-4,7-8,11-15H,5-6,9-10H2,1-2H3,(H,26,29)
InChIKeyNOOZQPQJJDCZQX-UHFFFAOYSA-N
MW409.92 g/mol
LogP4.09
Rot. Bonds4

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

1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 46899717) has the molecular formula C22H24ClN5O and a molecular weight of 409.92 g/mol. Its IUPAC name is 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID46899717
Molecular FormulaC22H24ClN5O
Molecular Weight409.92 g/mol
Exact Mass409.17
IUPAC Name1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(c2nc(-c3ccnc(Cl)c3)cc3cnccc23)CC1
InChIInChI=1S/C22H24ClN5O/c1-14(2)26-22(29)15-5-9-28(10-6-15)21-18-4-7-24-13-17(18)11-19(27-21)16-3-8-25-20(23)12-16/h3-4,7-8,11-15H,5-6,9-10H2,1-2H3,(H,26,29)
InChIKeyNOOZQPQJJDCZQX-UHFFFAOYSA-N
XLogP4.09
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.09
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-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide (CID 46899717) is 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide is CC(C)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]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is NOOZQPQJJDCZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O/c1-14(2)26-22(29)15-5-9-28(10-6-15)21-18-4-7-24-13-17(18)11-19(27-21)16-3-8-25-20(23)12-16/h3-4,7-8,11-15H,5-6,9-10H2,1-2H3,(H,26,29).
What are the key properties of 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 409.92 g/mol, XLogP of 4.09, 4 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-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 46899717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).