6-chloro-4-[(2,3-dimethoxybenzoyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide

C16H16ClN3O4 — CID 156880958

IUPAC6-chloro-4-[(2,3-dimethoxybenzoyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(Cl)cc1NC(=O)c1cccc(OC)c1OC
InChIInChI=1S/C16H16ClN3O4/c1-18-15(21)10-8-19-13(17)7-11(10)20-16(22)9-5-4-6-12(23-2)14(9)24-3/h4-8H,1-3H3,(H,18,21)(H,19,20,22)/i1D3
InChIKeyRLFAXUUTOQJZQG-FIBGUPNXSA-N
MW352.79 g/mol
LogP2.36
Rot. Bonds6

About 6-chloro-4-[(2,3-dimethoxybenzoyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide

6-chloro-4-[(2,3-dimethoxybenzoyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide (PubChem CID 156880958) has the molecular formula C16H16ClN3O4 and a molecular weight of 352.79 g/mol. Its IUPAC name is 6-chloro-4-[(2,3-dimethoxybenzoyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[(2,3-dimethoxybenzoyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
PubChem CID156880958
Molecular FormulaC16H16ClN3O4
Molecular Weight352.79 g/mol
Exact Mass352.10
IUPAC Name6-chloro-4-[(2,3-dimethoxybenzoyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(Cl)cc1NC(=O)c1cccc(OC)c1OC
InChIInChI=1S/C16H16ClN3O4/c1-18-15(21)10-8-19-13(17)7-11(10)20-16(22)9-5-4-6-12(23-2)14(9)24-3/h4-8H,1-3H3,(H,18,21)(H,19,20,22)/i1D3
InChIKeyRLFAXUUTOQJZQG-FIBGUPNXSA-N
XLogP2.36
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.79
LogP ≤ 52.36
H-Bond Donors ≤ 52
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 6-chloro-4-[(2,3-dimethoxybenzoyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-[(2,3-dimethoxybenzoyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide (CID 156880958) is 6-chloro-4-[(2,3-dimethoxybenzoyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-[(2,3-dimethoxybenzoyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-[(2,3-dimethoxybenzoyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1cnc(Cl)cc1NC(=O)c1cccc(OC)c1OC.
What is the InChIKey of 6-chloro-4-[(2,3-dimethoxybenzoyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
The InChIKey is RLFAXUUTOQJZQG-FIBGUPNXSA-N. The full InChI is InChI=1S/C16H16ClN3O4/c1-18-15(21)10-8-19-13(17)7-11(10)20-16(22)9-5-4-6-12(23-2)14(9)24-3/h4-8H,1-3H3,(H,18,21)(H,19,20,22)/i1D3.
What are the key properties of 6-chloro-4-[(2,3-dimethoxybenzoyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
6-chloro-4-[(2,3-dimethoxybenzoyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide has a molecular weight of 352.79 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(2,3-dimethoxybenzoyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide is sourced from PubChem (CID 156880958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).