N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2-hydroxybenzoyl)-N-methylpiperazine-1-carboxamide

C19H18ClF3N4O3 — CID 166230829

IUPACN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2-hydroxybenzoyl)-N-methylpiperazine-1-carboxamide
SMILESCN(C(=O)N1CCN(C(=O)c2ccccc2O)CC1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C19H18ClF3N4O3/c1-25(16-14(20)10-12(11-24-16)19(21,22)23)18(30)27-8-6-26(7-9-27)17(29)13-4-2-3-5-15(13)28/h2-5,10-11,28H,6-9H2,1H3
InChIKeyUJBIHXWZIQSJGZ-UHFFFAOYSA-N
MW442.83 g/mol
LogP3.47
Rot. Bonds2

About N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2-hydroxybenzoyl)-N-methylpiperazine-1-carboxamide

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2-hydroxybenzoyl)-N-methylpiperazine-1-carboxamide (PubChem CID 166230829) has the molecular formula C19H18ClF3N4O3 and a molecular weight of 442.83 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2-hydroxybenzoyl)-N-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2-hydroxybenzoyl)-N-methylpiperazine-1-carboxamide
PubChem CID166230829
Molecular FormulaC19H18ClF3N4O3
Molecular Weight442.83 g/mol
Exact Mass442.10
IUPAC NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2-hydroxybenzoyl)-N-methylpiperazine-1-carboxamide
SMILESCN(C(=O)N1CCN(C(=O)c2ccccc2O)CC1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C19H18ClF3N4O3/c1-25(16-14(20)10-12(11-24-16)19(21,22)23)18(30)27-8-6-26(7-9-27)17(29)13-4-2-3-5-15(13)28/h2-5,10-11,28H,6-9H2,1H3
InChIKeyUJBIHXWZIQSJGZ-UHFFFAOYSA-N
XLogP3.47
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.83
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 27562671
(2-chloro-3-pyridinyl)-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 2766871
(2-aminophenyl)-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone;dihydrochloride
CID 119946107
[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 27828995
1,3-benzodioxol-4-yl-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 55817272
(2-hydroxyphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 33148672
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-naphthalen-1-ylmethanone
CID 46679955
(2-hydroxyphenyl)-[4-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 55645976
3-chloro-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 14933767
[5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone
CID 103596257
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-2-ol
CID 55037938
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-1-oxoisoquinoline-4-carboxamide
CID 3252409

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2-hydroxybenzoyl)-N-methylpiperazine-1-carboxamide?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2-hydroxybenzoyl)-N-methylpiperazine-1-carboxamide (CID 166230829) is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2-hydroxybenzoyl)-N-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2-hydroxybenzoyl)-N-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2-hydroxybenzoyl)-N-methylpiperazine-1-carboxamide is CN(C(=O)N1CCN(C(=O)c2ccccc2O)CC1)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2-hydroxybenzoyl)-N-methylpiperazine-1-carboxamide?
The InChIKey is UJBIHXWZIQSJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N4O3/c1-25(16-14(20)10-12(11-24-16)19(21,22)23)18(30)27-8-6-26(7-9-27)17(29)13-4-2-3-5-15(13)28/h2-5,10-11,28H,6-9H2,1H3.
What are the key properties of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2-hydroxybenzoyl)-N-methylpiperazine-1-carboxamide?
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2-hydroxybenzoyl)-N-methylpiperazine-1-carboxamide has a molecular weight of 442.83 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2-hydroxybenzoyl)-N-methylpiperazine-1-carboxamide is sourced from PubChem (CID 166230829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).