3-(5-methyl-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide

C20H19F3N4O2 — CID 59539671

IUPAC3-(5-methyl-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)c3ccn[nH]3)cc(C(O)C(F)(F)F)c2)nc1
InChIInChI=1S/C20H19F3N4O2/c1-11-3-4-17(24-10-11)13-7-14(18(28)20(21,22)23)9-15(8-13)19(29)26-12(2)16-5-6-25-27-16/h3-10,12,18,28H,1-2H3,(H,25,27)(H,26,29)/t12-,18?/m1/s1
InChIKeyCEVIBQHFCUGZPQ-GKOGFXNCSA-N
MW404.39 g/mol
LogP3.87
Rot. Bonds5

About 3-(5-methyl-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide

3-(5-methyl-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide (PubChem CID 59539671) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 3-(5-methyl-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-(5-methyl-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide
PubChem CID59539671
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name3-(5-methyl-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)c3ccn[nH]3)cc(C(O)C(F)(F)F)c2)nc1
InChIInChI=1S/C20H19F3N4O2/c1-11-3-4-17(24-10-11)13-7-14(18(28)20(21,22)23)9-15(8-13)19(29)26-12(2)16-5-6-25-27-16/h3-10,12,18,28H,1-2H3,(H,25,27)(H,26,29)/t12-,18?/m1/s1
InChIKeyCEVIBQHFCUGZPQ-GKOGFXNCSA-N
XLogP3.87
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide?
The IUPAC name of 3-(5-methyl-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide (CID 59539671) is 3-(5-methyl-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide.
What is the SMILES notation for 3-(5-methyl-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide?
The canonical SMILES for 3-(5-methyl-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide is Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccn[nH]3)cc(C(O)C(F)(F)F)c2)nc1.
What is the InChIKey of 3-(5-methyl-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide?
The InChIKey is CEVIBQHFCUGZPQ-GKOGFXNCSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-11-3-4-17(24-10-11)13-7-14(18(28)20(21,22)23)9-15(8-13)19(29)26-12(2)16-5-6-25-27-16/h3-10,12,18,28H,1-2H3,(H,25,27)(H,26,29)/t12-,18?/m1/s1.
What are the key properties of 3-(5-methyl-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide?
3-(5-methyl-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide has a molecular weight of 404.39 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide is sourced from PubChem (CID 59539671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).