5-ethyl-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-pyridin-2-ylpyrazole-4-carboxamide

C25H31N5O2 — CID 55604161

IUPAC5-ethyl-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC(c2ccc(OC)cc2)N2CCCCC2)cnn1-c1ccccn1
InChIInChI=1S/C25H31N5O2/c1-3-22-21(17-28-30(22)24-9-5-6-14-26-24)25(31)27-18-23(29-15-7-4-8-16-29)19-10-12-20(32-2)13-11-19/h5-6,9-14,17,23H,3-4,7-8,15-16,18H2,1-2H3,(H,27,31)
InChIKeyGCEHHWRZTBJBQL-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.80
Rot. Bonds8

About 5-ethyl-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-pyridin-2-ylpyrazole-4-carboxamide

5-ethyl-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 55604161) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 5-ethyl-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID55604161
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name5-ethyl-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC(c2ccc(OC)cc2)N2CCCCC2)cnn1-c1ccccn1
InChIInChI=1S/C25H31N5O2/c1-3-22-21(17-28-30(22)24-9-5-6-14-26-24)25(31)27-18-23(29-15-7-4-8-16-29)19-10-12-20(32-2)13-11-19/h5-6,9-14,17,23H,3-4,7-8,15-16,18H2,1-2H3,(H,27,31)
InChIKeyGCEHHWRZTBJBQL-UHFFFAOYSA-N
XLogP3.80
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyridine-2-carboxamide
CID 46522817
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 110301839
N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 51935366
2-butoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35129295
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide;hydrochloride
CID 52985345
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide;hydrochloride
CID 52984933
3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide
CID 42883480
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dimethylbenzamide
CID 35047300
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16620945
5-ethyl-N-[3-(methylamino)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 119433437
2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 9119908
5-ethyl-1-pyridin-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-4-carboxamide;dihydrochloride
CID 120810988

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-pyridin-2-ylpyrazole-4-carboxamide (CID 55604161) is 5-ethyl-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-pyridin-2-ylpyrazole-4-carboxamide is CCc1c(C(=O)NCC(c2ccc(OC)cc2)N2CCCCC2)cnn1-c1ccccn1.
What is the InChIKey of 5-ethyl-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is GCEHHWRZTBJBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-3-22-21(17-28-30(22)24-9-5-6-14-26-24)25(31)27-18-23(29-15-7-4-8-16-29)19-10-12-20(32-2)13-11-19/h5-6,9-14,17,23H,3-4,7-8,15-16,18H2,1-2H3,(H,27,31).
What are the key properties of 5-ethyl-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
5-ethyl-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55604161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).