N-(4-methyl-2-pyridinyl)-1-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide

C22H29N5O4S — CID 53103203

IUPACN-(4-methyl-2-pyridinyl)-1-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCCC4)n(C)c3)CC2)c1
InChIInChI=1S/C22H29N5O4S/c1-16-5-8-23-20(13-16)24-21(28)17-6-11-27(12-7-17)32(30,31)18-14-19(25(2)15-18)22(29)26-9-3-4-10-26/h5,8,13-15,17H,3-4,6-7,9-12H2,1-2H3,(H,23,24,28)
InChIKeyZSQGNXRVNCGWDN-UHFFFAOYSA-N
MW459.57 g/mol
LogP2.00
Rot. Bonds5

About N-(4-methyl-2-pyridinyl)-1-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide

N-(4-methyl-2-pyridinyl)-1-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide (PubChem CID 53103203) has the molecular formula C22H29N5O4S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-1-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-1-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide
PubChem CID53103203
Molecular FormulaC22H29N5O4S
Molecular Weight459.57 g/mol
Exact Mass459.19
IUPAC NameN-(4-methyl-2-pyridinyl)-1-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCCC4)n(C)c3)CC2)c1
InChIInChI=1S/C22H29N5O4S/c1-16-5-8-23-20(13-16)24-21(28)17-6-11-27(12-7-17)32(30,31)18-14-19(25(2)15-18)22(29)26-9-3-4-10-26/h5,8,13-15,17H,3-4,6-7,9-12H2,1-2H3,(H,23,24,28)
InChIKeyZSQGNXRVNCGWDN-UHFFFAOYSA-N
XLogP2.00
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylphenyl)-1-[1-methyl-5-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide
CID 53031086
1-(4-tert-butylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 35028092
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-pyridin-2-ylpiperidine-4-carboxamide
CID 24563945
N-(3-ethylphenyl)-1-[1-methyl-5-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide
CID 50822108
1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55913924
1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 53106135
N-(4-methyl-2-pyridinyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide
CID 22582650
N-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2315676
1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 53085487
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55914561
N-(2-bromo-4-methylphenyl)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide
CID 25487798
N-(4-methyl-2-pyridinyl)-1-(2-oxochromen-6-yl)sulfonylpiperidine-4-carboxamide
CID 55914305

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-1-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-1-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide (CID 53103203) is N-(4-methyl-2-pyridinyl)-1-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-1-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-1-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide is Cc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCCC4)n(C)c3)CC2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-1-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide?
The InChIKey is ZSQGNXRVNCGWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4S/c1-16-5-8-23-20(13-16)24-21(28)17-6-11-27(12-7-17)32(30,31)18-14-19(25(2)15-18)22(29)26-9-3-4-10-26/h5,8,13-15,17H,3-4,6-7,9-12H2,1-2H3,(H,23,24,28).
What are the key properties of N-(4-methyl-2-pyridinyl)-1-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide?
N-(4-methyl-2-pyridinyl)-1-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 2.00, 5 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-[1-methyl-5-(pyrrolidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 53103203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).