2-chloro-N-[2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide

C21H22ClN5O — CID 24790584

IUPAC2-chloro-N-[2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2cccnc2)CC1)c1ccccc1Cl
InChIInChI=1S/C21H22ClN5O/c22-19-6-2-1-5-18(19)21(28)25-20-7-11-24-27(20)17-8-12-26(13-9-17)15-16-4-3-10-23-14-16/h1-7,10-11,14,17H,8-9,12-13,15H2,(H,25,28)
InChIKeyNEZOFZLQKNVHFZ-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.02
Rot. Bonds5

About 2-chloro-N-[2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide

2-chloro-N-[2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24790584) has the molecular formula C21H22ClN5O and a molecular weight of 395.89 g/mol. Its IUPAC name is 2-chloro-N-[2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24790584
Molecular FormulaC21H22ClN5O
Molecular Weight395.89 g/mol
Exact Mass395.15
IUPAC Name2-chloro-N-[2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2cccnc2)CC1)c1ccccc1Cl
InChIInChI=1S/C21H22ClN5O/c22-19-6-2-1-5-18(19)21(28)25-20-7-11-24-27(20)17-8-12-26(13-9-17)15-16-4-3-10-23-14-16/h1-7,10-11,14,17H,8-9,12-13,15H2,(H,25,28)
InChIKeyNEZOFZLQKNVHFZ-UHFFFAOYSA-N
XLogP4.02
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Gsk-2256098
CID 46214930
4-bromo-5-((2-chlorobenzoyl)amino)-1-phenyl-N-(2-(1-(4-pyridinyl)-4-piperidinyl)ethyl)-1H-pyrazole-3-carboxamide
CID 23630919
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-methyl-6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10647621
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10718220
[2-Chloro-4-(5-methylpyrazol-1-yl)phenyl]-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone
CID 9801970
[2-Chloro-4-(3-methyl-1H-pyrazol-1-yl)-phenyl]-(6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-6-yl)-methanone
CID 9888109
[2-Chloro-4-(1-methyl-1H-pyrazol-3-yl)-phenyl]-(6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-6-yl)-methanone
CID 9931699
Phenyl-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10499712
(3-Chlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10621510
(3-Chloro-4-fluorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10622421
(3,4-Dichlorophenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10646934
(3,4-Dichlorophenyl)-[4-fluoro-4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10742699

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24790584) is 2-chloro-N-[2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide is O=C(Nc1ccnn1C1CCN(Cc2cccnc2)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is NEZOFZLQKNVHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O/c22-19-6-2-1-5-18(19)21(28)25-20-7-11-24-27(20)17-8-12-26(13-9-17)15-16-4-3-10-23-14-16/h1-7,10-11,14,17H,8-9,12-13,15H2,(H,25,28).
What are the key properties of 2-chloro-N-[2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
2-chloro-N-[2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 395.89 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24790584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).