6-oxo-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide

C14H16F3N5O2 — CID 167889541

IUPAC6-oxo-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
SMILESCC(C)c1n[nH]c(C(C)NC(=O)c2ccc(C(F)(F)F)c(=O)[nH]2)n1
InChIInChI=1S/C14H16F3N5O2/c1-6(2)10-20-11(22-21-10)7(3)18-13(24)9-5-4-8(12(23)19-9)14(15,16)17/h4-7H,1-3H3,(H,18,24)(H,19,23)(H,20,21,22)
InChIKeyAIWWAELZBGJNNH-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.13
Rot. Bonds4

About 6-oxo-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide

6-oxo-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide (PubChem CID 167889541) has the molecular formula C14H16F3N5O2 and a molecular weight of 343.31 g/mol. Its IUPAC name is 6-oxo-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
PubChem CID167889541
Molecular FormulaC14H16F3N5O2
Molecular Weight343.31 g/mol
Exact Mass343.13
IUPAC Name6-oxo-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
SMILESCC(C)c1n[nH]c(C(C)NC(=O)c2ccc(C(F)(F)F)c(=O)[nH]2)n1
InChIInChI=1S/C14H16F3N5O2/c1-6(2)10-20-11(22-21-10)7(3)18-13(24)9-5-4-8(12(23)19-9)14(15,16)17/h4-7H,1-3H3,(H,18,24)(H,19,23)(H,20,21,22)
InChIKeyAIWWAELZBGJNNH-UHFFFAOYSA-N
XLogP2.13
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
The IUPAC name of 6-oxo-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide (CID 167889541) is 6-oxo-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide.
What is the SMILES notation for 6-oxo-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
The canonical SMILES for 6-oxo-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide is CC(C)c1n[nH]c(C(C)NC(=O)c2ccc(C(F)(F)F)c(=O)[nH]2)n1.
What is the InChIKey of 6-oxo-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
The InChIKey is AIWWAELZBGJNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O2/c1-6(2)10-20-11(22-21-10)7(3)18-13(24)9-5-4-8(12(23)19-9)14(15,16)17/h4-7H,1-3H3,(H,18,24)(H,19,23)(H,20,21,22).
What are the key properties of 6-oxo-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
6-oxo-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide has a molecular weight of 343.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide is sourced from PubChem (CID 167889541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).