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

C21H33N5O4S — CID 55971103

IUPAC1-[5-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)CC1
InChIInChI=1S/C21H33N5O4S/c1-2-3-13-31(29,30)26-11-8-16(9-12-26)21(28)24-18-6-7-19(23-14-18)25-10-4-5-17(15-25)20(22)27/h6-7,14,16-17H,2-5,8-13,15H2,1H3,(H2,22,27)(H,24,28)
InChIKeyZUJQEBDROZQZJD-UHFFFAOYSA-N
MW451.59 g/mol
LogP1.56
Rot. Bonds8

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

1-[5-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55971103) has the molecular formula C21H33N5O4S and a molecular weight of 451.59 g/mol. Its IUPAC name is 1-[5-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55971103
Molecular FormulaC21H33N5O4S
Molecular Weight451.59 g/mol
Exact Mass451.23
IUPAC Name1-[5-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)CC1
InChIInChI=1S/C21H33N5O4S/c1-2-3-13-31(29,30)26-11-8-16(9-12-26)21(28)24-18-6-7-19(23-14-18)25-10-4-5-17(15-25)20(22)27/h6-7,14,16-17H,2-5,8-13,15H2,1H3,(H2,22,27)(H,24,28)
InChIKeyZUJQEBDROZQZJD-UHFFFAOYSA-N
XLogP1.56
TPSA125.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[5-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700725
1-[5-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701006
2-butyl-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-1,3-dioxoisoindole-5-carboxamide
CID 55968280
N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]cyclobutanecarboxamide
CID 113015663
1-butylsulfonyl-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 55788014
N-cyclopentyl-1-[5-(cyclopropanecarbonylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 50842519
(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 95312803
N-(6-amino-3-pyridinyl)-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119516492
1-[5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970200
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 55700964
1-[5-[(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971217
1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 86967490

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide (CID 55971103) is 1-[5-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)CC1.
What is the InChIKey of 1-[5-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is ZUJQEBDROZQZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O4S/c1-2-3-13-31(29,30)26-11-8-16(9-12-26)21(28)24-18-6-7-19(23-14-18)25-10-4-5-17(15-25)20(22)27/h6-7,14,16-17H,2-5,8-13,15H2,1H3,(H2,22,27)(H,24,28).
What are the key properties of 1-[5-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide?
1-[5-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 451.59 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55971103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).