1-methyl-2-oxo-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pyridine-4-carboxamide

C19H23N3O4S — CID 70680204

IUPAC1-methyl-2-oxo-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1=O
InChIInChI=1S/C19H23N3O4S/c1-21-11-8-16(13-18(21)23)19(24)20-14-15-6-5-7-17(12-15)27(25,26)22-9-3-2-4-10-22/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,20,24)
InChIKeyWRFQTRYYFBANOK-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.49
Rot. Bonds5

About 1-methyl-2-oxo-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pyridine-4-carboxamide

1-methyl-2-oxo-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pyridine-4-carboxamide (PubChem CID 70680204) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
PubChem CID70680204
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name1-methyl-2-oxo-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1=O
InChIInChI=1S/C19H23N3O4S/c1-21-11-8-16(13-18(21)23)19(24)20-14-15-6-5-7-17(12-15)27(25,26)22-9-3-2-4-10-22/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,20,24)
InChIKeyWRFQTRYYFBANOK-UHFFFAOYSA-N
XLogP1.49
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide
CID 66872598
3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 2597746
3-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 26446820
N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 33013667
N-[(3-methoxyphenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 35676429
3-(azepan-1-ylsulfonyl)-N-[(4-ethoxyphenyl)methyl]benzamide
CID 53285754
4-(azepan-1-ylsulfonyl)-N-[(3-chlorophenyl)methyl]benzamide
CID 5135953
cis-(1R,2S)-2-methyl-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]cyclopropane-1-carboxamide
CID 95285827
3-piperidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 27052335
N-[(2-ethoxy-4-pyridinyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55707675
N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8880625
5-methoxy-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pentanamide
CID 60621896

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pyridine-4-carboxamide (CID 70680204) is 1-methyl-2-oxo-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pyridine-4-carboxamide is Cn1ccc(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1=O.
What is the InChIKey of 1-methyl-2-oxo-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is WRFQTRYYFBANOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-21-11-8-16(13-18(21)23)19(24)20-14-15-6-5-7-17(12-15)27(25,26)22-9-3-2-4-10-22/h5-8,11-13H,2-4,9-10,14H2,1H3,(H,20,24).
What are the key properties of 1-methyl-2-oxo-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pyridine-4-carboxamide?
1-methyl-2-oxo-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 70680204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).