1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

C17H20ClN5O4S — CID 43036190

IUPAC1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1C(N)=O
InChIInChI=1S/C17H20ClN5O4S/c1-22-10-13(8-14(22)16(19)24)28(26,27)23-6-4-11(5-7-23)17(25)21-15-3-2-12(18)9-20-15/h2-3,8-11H,4-7H2,1H3,(H2,19,24)(H,20,21,25)
InChIKeyHQDRIRMJRIOGIU-UHFFFAOYSA-N
MW425.90 g/mol
LogP1.21
Rot. Bonds5

About 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 43036190) has the molecular formula C17H20ClN5O4S and a molecular weight of 425.90 g/mol. Its IUPAC name is 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
PubChem CID43036190
Molecular FormulaC17H20ClN5O4S
Molecular Weight425.90 g/mol
Exact Mass425.09
IUPAC Name1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1C(N)=O
InChIInChI=1S/C17H20ClN5O4S/c1-22-10-13(8-14(22)16(19)24)28(26,27)23-6-4-11(5-7-23)17(25)21-15-3-2-12(18)9-20-15/h2-3,8-11H,4-7H2,1H3,(H2,19,24)(H,20,21,25)
InChIKeyHQDRIRMJRIOGIU-UHFFFAOYSA-N
XLogP1.21
TPSA127.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.90
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-pyridin-2-ylpiperidine-4-carboxamide
CID 24563945
N-(5-chloro-2-pyridinyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 39753818
N-(2-bromo-4-methylphenyl)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide
CID 25487798
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(cyclopropylmethyl)piperidine-4-carboxamide
CID 24667159
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 24562977
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 24562992
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide
CID 30860669
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-methylcyclohexyl)piperidine-4-carboxamide
CID 24563915
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63032539
1-methyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylpyrrole-2-carboxamide
CID 24563909
1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 43042605
1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55812737

Frequently Asked Questions

What is the IUPAC name of 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (CID 43036190) is 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is Cn1cc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1C(N)=O.
What is the InChIKey of 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is HQDRIRMJRIOGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O4S/c1-22-10-13(8-14(22)16(19)24)28(26,27)23-6-4-11(5-7-23)17(25)21-15-3-2-12(18)9-20-15/h2-3,8-11H,4-7H2,1H3,(H2,19,24)(H,20,21,25).
What are the key properties of 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 425.90 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 43036190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).