2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-6-methoxy-N-methylsulfonylpyridine-4-carboxamide

C15H16ClN3O6S — CID 3788254

IUPAC2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-6-methoxy-N-methylsulfonylpyridine-4-carboxamide
SMILESCOc1cc(C(=O)N(c2ccc(OC)nc2OC)S(C)(=O)=O)cc(Cl)n1
InChIInChI=1S/C15H16ClN3O6S/c1-23-12-6-5-10(14(18-12)25-3)19(26(4,21)22)15(20)9-7-11(16)17-13(8-9)24-2/h5-8H,1-4H3
InChIKeyUXGRMQWVLSSSFD-UHFFFAOYSA-N
MW401.83 g/mol
LogP1.76
Rot. Bonds6

About 2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-6-methoxy-N-methylsulfonylpyridine-4-carboxamide

2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-6-methoxy-N-methylsulfonylpyridine-4-carboxamide (PubChem CID 3788254) has the molecular formula C15H16ClN3O6S and a molecular weight of 401.83 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-6-methoxy-N-methylsulfonylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-6-methoxy-N-methylsulfonylpyridine-4-carboxamide
PubChem CID3788254
Molecular FormulaC15H16ClN3O6S
Molecular Weight401.83 g/mol
Exact Mass401.04
IUPAC Name2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-6-methoxy-N-methylsulfonylpyridine-4-carboxamide
SMILESCOc1cc(C(=O)N(c2ccc(OC)nc2OC)S(C)(=O)=O)cc(Cl)n1
InChIInChI=1S/C15H16ClN3O6S/c1-23-12-6-5-10(14(18-12)25-3)19(26(4,21)22)15(20)9-7-11(16)17-13(8-9)24-2/h5-8H,1-4H3
InChIKeyUXGRMQWVLSSSFD-UHFFFAOYSA-N
XLogP1.76
TPSA107.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.83
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-6-methoxy-N-methylsulfonylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-6-methoxy-N-methylsulfonylpyridine-4-carboxamide (CID 3788254) is 2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-6-methoxy-N-methylsulfonylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-6-methoxy-N-methylsulfonylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-6-methoxy-N-methylsulfonylpyridine-4-carboxamide is COc1cc(C(=O)N(c2ccc(OC)nc2OC)S(C)(=O)=O)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-6-methoxy-N-methylsulfonylpyridine-4-carboxamide?
The InChIKey is UXGRMQWVLSSSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O6S/c1-23-12-6-5-10(14(18-12)25-3)19(26(4,21)22)15(20)9-7-11(16)17-13(8-9)24-2/h5-8H,1-4H3.
What are the key properties of 2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-6-methoxy-N-methylsulfonylpyridine-4-carboxamide?
2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-6-methoxy-N-methylsulfonylpyridine-4-carboxamide has a molecular weight of 401.83 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-dimethoxy-3-pyridinyl)-6-methoxy-N-methylsulfonylpyridine-4-carboxamide is sourced from PubChem (CID 3788254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).