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

C23H25BrClN5O — CID 86666134

IUPAC1-[4-bromo-3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(c2nc(-c3ccnc(Cl)c3)c(Br)c3cnccc23)CC1
InChIInChI=1S/C23H25BrClN5O/c1-14(2)12-28-23(31)15-5-9-30(10-6-15)22-17-4-7-26-13-18(17)20(24)21(29-22)16-3-8-27-19(25)11-16/h3-4,7-8,11,13-15H,5-6,9-10,12H2,1-2H3,(H,28,31)
InChIKeyACTDPHSVOZWGRV-UHFFFAOYSA-N
MW502.84 g/mol
LogP5.10
Rot. Bonds5

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

1-[4-bromo-3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 86666134) has the molecular formula C23H25BrClN5O and a molecular weight of 502.84 g/mol. Its IUPAC name is 1-[4-bromo-3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-bromo-3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID86666134
Molecular FormulaC23H25BrClN5O
Molecular Weight502.84 g/mol
Exact Mass501.09
IUPAC Name1-[4-bromo-3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(c2nc(-c3ccnc(Cl)c3)c(Br)c3cnccc23)CC1
InChIInChI=1S/C23H25BrClN5O/c1-14(2)12-28-23(31)15-5-9-30(10-6-15)22-17-4-7-26-13-18(17)20(24)21(29-22)16-3-8-27-19(25)11-16/h3-4,7-8,11,13-15H,5-6,9-10,12H2,1-2H3,(H,28,31)
InChIKeyACTDPHSVOZWGRV-UHFFFAOYSA-N
XLogP5.10
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.84
LogP ≤ 55.10
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-[4-bromo-3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-bromo-3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methylpropyl)piperidine-4-carboxamide (CID 86666134) is 1-[4-bromo-3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-bromo-3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-bromo-3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methylpropyl)piperidine-4-carboxamide is CC(C)CNC(=O)C1CCN(c2nc(-c3ccnc(Cl)c3)c(Br)c3cnccc23)CC1.
What is the InChIKey of 1-[4-bromo-3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is ACTDPHSVOZWGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrClN5O/c1-14(2)12-28-23(31)15-5-9-30(10-6-15)22-17-4-7-26-13-18(17)20(24)21(29-22)16-3-8-27-19(25)11-16/h3-4,7-8,11,13-15H,5-6,9-10,12H2,1-2H3,(H,28,31).
What are the key properties of 1-[4-bromo-3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methylpropyl)piperidine-4-carboxamide?
1-[4-bromo-3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 502.84 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 86666134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).