N-(3-chloro-4-methoxyphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-4-carboxamide

C22H24ClN5O2 — CID 155539322

IUPACN-(3-chloro-4-methoxyphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3ncccc3-c3cnn(C)c3)CC2)cc1Cl
InChIInChI=1S/C22H24ClN5O2/c1-27-14-16(13-25-27)18-4-3-9-24-21(18)28-10-7-15(8-11-28)22(29)26-17-5-6-20(30-2)19(23)12-17/h3-6,9,12-15H,7-8,10-11H2,1-2H3,(H,26,29)
InChIKeyYKBMHDPUTLWKPT-UHFFFAOYSA-N
MW425.92 g/mol
LogP4.00
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 155539322) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID155539322
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3ncccc3-c3cnn(C)c3)CC2)cc1Cl
InChIInChI=1S/C22H24ClN5O2/c1-27-14-16(13-25-27)18-4-3-9-24-21(18)28-10-7-15(8-11-28)22(29)26-17-5-6-20(30-2)19(23)12-17/h3-6,9,12-15H,7-8,10-11H2,1-2H3,(H,26,29)
InChIKeyYKBMHDPUTLWKPT-UHFFFAOYSA-N
XLogP4.00
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)piperidine-4-carboxamide
CID 155538729
1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 155546978
N-(3-chloro-4-methoxyphenyl)-1-(3-methylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
CID 155537366
N-(3-chloro-4-methoxyphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 46333880
N-(3-chloro-4-methoxyphenyl)-1-isoquinolin-1-ylpiperidine-4-carboxamide
CID 155544056
N-(3-chloro-4-methoxyphenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide
CID 155566952
(2S,4R)-1-(3-bromo-2-pyridinyl)-N-(3-chloro-4-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 155512656
N-(3-chloro-4-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170445
N-(3-chloro-4-methoxyphenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 30274478
(2R,4R)-N-(3-chloro-4-methoxyphenyl)-2-ethyl-1-(3-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 155538063
N-(3-chloro-4-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 5309136
N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859513

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-4-carboxamide (CID 155539322) is N-(3-chloro-4-methoxyphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3ncccc3-c3cnn(C)c3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is YKBMHDPUTLWKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c1-27-14-16(13-25-27)18-4-3-9-24-21(18)28-10-7-15(8-11-28)22(29)26-17-5-6-20(30-2)19(23)12-17/h3-6,9,12-15H,7-8,10-11H2,1-2H3,(H,26,29).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 425.92 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-[3-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 155539322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).