1-[3-[(4-fluoro-3-methylphenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide

C21H27FN4O3S — CID 50842371

IUPAC1-[3-[(4-fluoro-3-methylphenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(c2ncccc2NS(=O)(=O)c2ccc(F)c(C)c2)C1
InChIInChI=1S/C21H27FN4O3S/c1-3-10-24-21(27)16-6-5-12-26(14-16)20-19(7-4-11-23-20)25-30(28,29)17-8-9-18(22)15(2)13-17/h4,7-9,11,13,16,25H,3,5-6,10,12,14H2,1-2H3,(H,24,27)
InChIKeyXRCFGCNEGZUJQY-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.07
Rot. Bonds7

About 1-[3-[(4-fluoro-3-methylphenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide

1-[3-[(4-fluoro-3-methylphenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide (PubChem CID 50842371) has the molecular formula C21H27FN4O3S and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-[3-[(4-fluoro-3-methylphenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[(4-fluoro-3-methylphenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide
PubChem CID50842371
Molecular FormulaC21H27FN4O3S
Molecular Weight434.54 g/mol
Exact Mass434.18
IUPAC Name1-[3-[(4-fluoro-3-methylphenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(c2ncccc2NS(=O)(=O)c2ccc(F)c(C)c2)C1
InChIInChI=1S/C21H27FN4O3S/c1-3-10-24-21(27)16-6-5-12-26(14-16)20-19(7-4-11-23-20)25-30(28,29)17-8-9-18(22)15(2)13-17/h4,7-9,11,13,16,25H,3,5-6,10,12,14H2,1-2H3,(H,24,27)
InChIKeyXRCFGCNEGZUJQY-UHFFFAOYSA-N
XLogP3.07
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(3-chlorophenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide
CID 50842397
N-butyl-1-[3-(methanesulfonamido)-2-pyridinyl]piperidine-3-carboxamide
CID 50842301
1-[4-(difluoromethylsulfonyl)phenyl]-N-propylpiperidine-3-carboxamide
CID 49431230
methyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate
CID 115538419
N-(cyclopropylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-propylbenzamide
CID 112812922
N-propyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidine-3-carboxamide
CID 49431253
(3R)-N-propyl-1-(7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-yl)piperidine-3-carboxamide
CID 125127332
1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-pentylpiperidine-3-carboxamide
CID 46392303
N-(2-aminoethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-3-carboxamide
CID 79727350
1-(4-chloro-2-cyanophenyl)-N-propylpiperidine-3-carboxamide
CID 133286024
N-butyl-1-[(2-piperidin-1-yl-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 50928010
N-(4-iodo-2-methylphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55712610

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-fluoro-3-methylphenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-[3-[(4-fluoro-3-methylphenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide (CID 50842371) is 1-[3-[(4-fluoro-3-methylphenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[3-[(4-fluoro-3-methylphenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-[3-[(4-fluoro-3-methylphenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide is CCCNC(=O)C1CCCN(c2ncccc2NS(=O)(=O)c2ccc(F)c(C)c2)C1.
What is the InChIKey of 1-[3-[(4-fluoro-3-methylphenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide?
The InChIKey is XRCFGCNEGZUJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O3S/c1-3-10-24-21(27)16-6-5-12-26(14-16)20-19(7-4-11-23-20)25-30(28,29)17-8-9-18(22)15(2)13-17/h4,7-9,11,13,16,25H,3,5-6,10,12,14H2,1-2H3,(H,24,27).
What are the key properties of 1-[3-[(4-fluoro-3-methylphenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide?
1-[3-[(4-fluoro-3-methylphenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-fluoro-3-methylphenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 50842371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).