6-chloro-5-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide

C19H22ClN3O3S — CID 164997311

IUPAC6-chloro-5-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3C)cc2)nc1Cl
InChIInChI=1S/C19H22ClN3O3S/c1-13-6-11-17(22-18(13)20)19(24)21-15-7-9-16(10-8-15)27(25,26)23-12-4-3-5-14(23)2/h6-11,14H,3-5,12H2,1-2H3,(H,21,24)
InChIKeyYCRYIFUWEVXBNT-UHFFFAOYSA-N
MW407.92 g/mol
LogP3.86
Rot. Bonds4

About 6-chloro-5-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide

6-chloro-5-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide (PubChem CID 164997311) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-5-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
PubChem CID164997311
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC Name6-chloro-5-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3C)cc2)nc1Cl
InChIInChI=1S/C19H22ClN3O3S/c1-13-6-11-17(22-18(13)20)19(24)21-15-7-9-16(10-8-15)27(25,26)23-12-4-3-5-14(23)2/h6-11,14H,3-5,12H2,1-2H3,(H,21,24)
InChIKeyYCRYIFUWEVXBNT-UHFFFAOYSA-N
XLogP3.86
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-(3,4-dimethylphenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 35043262
N-(4-chlorophenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8762440
N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]thiadiazole-4-carboxamide
CID 26819578
5-(4-chlorophenyl)-N-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 42279430
2-(4-chlorophenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 19114634
1-(2-methylphenyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]urea
CID 27521233
1-(4-methylphenyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]thiourea
CID 27522605
3-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1-benzofuran-2-carboxamide
CID 2926058
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 41066616
N-(3-chloro-4-fluorophenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9096526
4-(2-methylpiperidin-1-yl)sulfonyl-N-naphthalen-2-ylbenzamide
CID 3267062
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-5-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide (CID 164997311) is 6-chloro-5-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-5-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-5-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3C)cc2)nc1Cl.
What is the InChIKey of 6-chloro-5-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide?
The InChIKey is YCRYIFUWEVXBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c1-13-6-11-17(22-18(13)20)19(24)21-15-7-9-16(10-8-15)27(25,26)23-12-4-3-5-14(23)2/h6-11,14H,3-5,12H2,1-2H3,(H,21,24).
What are the key properties of 6-chloro-5-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide?
6-chloro-5-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide has a molecular weight of 407.92 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 164997311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).