N-(4-methyl-2-pyridinyl)-1-(2-oxochromen-6-yl)sulfonylpiperidine-4-carboxamide

C21H21N3O5S — CID 55914305

IUPACN-(4-methyl-2-pyridinyl)-1-(2-oxochromen-6-yl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3ccc4oc(=O)ccc4c3)CC2)c1
InChIInChI=1S/C21H21N3O5S/c1-14-6-9-22-19(12-14)23-21(26)15-7-10-24(11-8-15)30(27,28)17-3-4-18-16(13-17)2-5-20(25)29-18/h2-6,9,12-13,15H,7-8,10-11H2,1H3,(H,22,23,26)
InChIKeyOFQCMZQQOKBCBD-UHFFFAOYSA-N
MW427.48 g/mol
LogP2.54
Rot. Bonds4

About N-(4-methyl-2-pyridinyl)-1-(2-oxochromen-6-yl)sulfonylpiperidine-4-carboxamide

N-(4-methyl-2-pyridinyl)-1-(2-oxochromen-6-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 55914305) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-1-(2-oxochromen-6-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-1-(2-oxochromen-6-yl)sulfonylpiperidine-4-carboxamide
PubChem CID55914305
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC NameN-(4-methyl-2-pyridinyl)-1-(2-oxochromen-6-yl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3ccc4oc(=O)ccc4c3)CC2)c1
InChIInChI=1S/C21H21N3O5S/c1-14-6-9-22-19(12-14)23-21(26)15-7-10-24(11-8-15)30(27,28)17-3-4-18-16(13-17)2-5-20(25)29-18/h2-6,9,12-13,15H,7-8,10-11H2,1H3,(H,22,23,26)
InChIKeyOFQCMZQQOKBCBD-UHFFFAOYSA-N
XLogP2.54
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

1-(4-tert-butylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 35028092
1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 53106135
1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55913924
N-(4-methyl-2-pyridinyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide
CID 22582650
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55914561
1-(4-bromo-2-chlorophenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55816205
6-(4-aminopiperidin-1-yl)sulfonylchromen-2-one
CID 43556312
N-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2315676
N-(4-methyl-2-pyridinyl)-1-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide
CID 53103203
N-(5-methyl-2-pyridinyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 25162169
1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 53085487
6-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylchromen-2-one
CID 62371698

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-1-(2-oxochromen-6-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-1-(2-oxochromen-6-yl)sulfonylpiperidine-4-carboxamide (CID 55914305) is N-(4-methyl-2-pyridinyl)-1-(2-oxochromen-6-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-1-(2-oxochromen-6-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-1-(2-oxochromen-6-yl)sulfonylpiperidine-4-carboxamide is Cc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3ccc4oc(=O)ccc4c3)CC2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-1-(2-oxochromen-6-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is OFQCMZQQOKBCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-14-6-9-22-19(12-14)23-21(26)15-7-10-24(11-8-15)30(27,28)17-3-4-18-16(13-17)2-5-20(25)29-18/h2-6,9,12-13,15H,7-8,10-11H2,1H3,(H,22,23,26).
What are the key properties of N-(4-methyl-2-pyridinyl)-1-(2-oxochromen-6-yl)sulfonylpiperidine-4-carboxamide?
N-(4-methyl-2-pyridinyl)-1-(2-oxochromen-6-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-1-(2-oxochromen-6-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55914305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).