N-[5-(1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide

C18H17F3N6O2 — CID 118064983

IUPACN-[5-(1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESCC(O)c1c(NC(=O)c2ccnc(Nc3ccc(C(F)(F)F)cn3)c2)cnn1C
InChIInChI=1S/C18H17F3N6O2/c1-10(28)16-13(9-24-27(16)2)25-17(29)11-5-6-22-15(7-11)26-14-4-3-12(8-23-14)18(19,20)21/h3-10,28H,1-2H3,(H,25,29)(H,22,23,26)
InChIKeyNZKVYKRMFPNPCM-UHFFFAOYSA-N
MW406.37 g/mol
LogP3.28
Rot. Bonds5

About N-[5-(1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide

N-[5-(1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide (PubChem CID 118064983) has the molecular formula C18H17F3N6O2 and a molecular weight of 406.37 g/mol. Its IUPAC name is N-[5-(1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
PubChem CID118064983
Molecular FormulaC18H17F3N6O2
Molecular Weight406.37 g/mol
Exact Mass406.14
IUPAC NameN-[5-(1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESCC(O)c1c(NC(=O)c2ccnc(Nc3ccc(C(F)(F)F)cn3)c2)cnn1C
InChIInChI=1S/C18H17F3N6O2/c1-10(28)16-13(9-24-27(16)2)25-17(29)11-5-6-22-15(7-11)26-14-4-3-12(8-23-14)18(19,20)21/h3-10,28H,1-2H3,(H,25,29)(H,22,23,26)
InChIKeyNZKVYKRMFPNPCM-UHFFFAOYSA-N
XLogP3.28
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.37
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The IUPAC name of N-[5-(1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide (CID 118064983) is N-[5-(1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-(1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[5-(1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide is CC(O)c1c(NC(=O)c2ccnc(Nc3ccc(C(F)(F)F)cn3)c2)cnn1C.
What is the InChIKey of N-[5-(1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The InChIKey is NZKVYKRMFPNPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O2/c1-10(28)16-13(9-24-27(16)2)25-17(29)11-5-6-22-15(7-11)26-14-4-3-12(8-23-14)18(19,20)21/h3-10,28H,1-2H3,(H,25,29)(H,22,23,26).
What are the key properties of N-[5-(1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
N-[5-(1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide has a molecular weight of 406.37 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 118064983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).