1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-4-carboxamide

C11H13ClFN3O — CID 79727259

IUPAC1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncc(Cl)cc2F)CC1
InChIInChI=1S/C11H13ClFN3O/c12-8-5-9(13)11(15-6-8)16-3-1-7(2-4-16)10(14)17/h5-7H,1-4H2,(H2,14,17)
InChIKeyOIGXIXLCPPSKAS-UHFFFAOYSA-N
MW257.70 g/mol
LogP1.58
Rot. Bonds2

About 1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-4-carboxamide

1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 79727259) has the molecular formula C11H13ClFN3O and a molecular weight of 257.70 g/mol. Its IUPAC name is 1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-4-carboxamide
PubChem CID79727259
Molecular FormulaC11H13ClFN3O
Molecular Weight257.70 g/mol
Exact Mass257.07
IUPAC Name1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncc(Cl)cc2F)CC1
InChIInChI=1S/C11H13ClFN3O/c12-8-5-9(13)11(15-6-8)16-3-1-7(2-4-16)10(14)17/h5-7H,1-4H2,(H2,14,17)
InChIKeyOIGXIXLCPPSKAS-UHFFFAOYSA-N
XLogP1.58
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.70
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335489
5-chloro-3-fluoro-2-(4-propan-2-ylpiperidin-1-yl)pyridine
CID 58431434
1-(3,5-diamino-2-pyridinyl)piperidine-4-carboxamide
CID 21082843
1-(5-chloro-3-fluoro-2-pyridinyl)-4-cyclopentylpiperazine
CID 79728091
1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpiperidin-4-amine
CID 79867696
N-(2-aminoethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-3-carboxamide
CID 79727350
1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 170716685
1-(3,5-difluoro-2-pyridinyl)piperidine-4-carboximidamide
CID 112675528
1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-4-carboxamide
CID 80754583
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxamide
CID 133366062
N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
CID 166605987
N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide
CID 171691551

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-4-carboxamide (CID 79727259) is 1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-4-carboxamide is NC(=O)C1CCN(c2ncc(Cl)cc2F)CC1.
What is the InChIKey of 1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is OIGXIXLCPPSKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN3O/c12-8-5-9(13)11(15-6-8)16-3-1-7(2-4-16)10(14)17/h5-7H,1-4H2,(H2,14,17).
What are the key properties of 1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-4-carboxamide?
1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 257.70 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 79727259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).