1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide

C18H27N5O4S — CID 55700725

IUPAC1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)CC1
InChIInChI=1S/C18H27N5O4S/c1-28(26,27)23-9-6-13(7-10-23)18(25)21-15-4-5-16(20-11-15)22-8-2-3-14(12-22)17(19)24/h4-5,11,13-14H,2-3,6-10,12H2,1H3,(H2,19,24)(H,21,25)
InChIKeyJYSPBDFOLKSABS-UHFFFAOYSA-N
MW409.51 g/mol
LogP0.39
Rot. Bonds5

About 1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55700725) has the molecular formula C18H27N5O4S and a molecular weight of 409.51 g/mol. Its IUPAC name is 1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55700725
Molecular FormulaC18H27N5O4S
Molecular Weight409.51 g/mol
Exact Mass409.18
IUPAC Name1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)CC1
InChIInChI=1S/C18H27N5O4S/c1-28(26,27)23-9-6-13(7-10-23)18(25)21-15-4-5-16(20-11-15)22-8-2-3-14(12-22)17(19)24/h4-5,11,13-14H,2-3,6-10,12H2,1H3,(H2,19,24)(H,21,25)
InChIKeyJYSPBDFOLKSABS-UHFFFAOYSA-N
XLogP0.39
TPSA125.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971103
1-[5-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701006
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]cyclobutanecarboxamide
CID 113015663
N-cyclopentyl-1-[5-(cyclopropanecarbonylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 50842519
1-[5-[(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971217
(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 95312803
1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 86967490
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940
1-[5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970200
1-[5-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55968667
1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967635
1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86962982

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide (CID 55700725) is 1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide is CS(=O)(=O)N1CCC(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)CC1.
What is the InChIKey of 1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is JYSPBDFOLKSABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O4S/c1-28(26,27)23-9-6-13(7-10-23)18(25)21-15-4-5-16(20-11-15)22-8-2-3-14(12-22)17(19)24/h4-5,11,13-14H,2-3,6-10,12H2,1H3,(H2,19,24)(H,21,25).
What are the key properties of 1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide?
1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55700725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).