3-fluoro-N-[6-(2-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide

C21H18FN5O — CID 159068821

IUPAC3-fluoro-N-[6-(2-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide
SMILESCC(C)n1ncnc1-c1cccc(NC(=O)c2cc3ccccc3cc2F)n1
InChIInChI=1S/C21H18FN5O/c1-13(2)27-20(23-12-24-27)18-8-5-9-19(25-18)26-21(28)16-10-14-6-3-4-7-15(14)11-17(16)22/h3-13H,1-2H3,(H,25,26,28)
InChIKeyJZJRIMIEJXCSSH-UHFFFAOYSA-N
MW375.41 g/mol
LogP4.47
Rot. Bonds4

About 3-fluoro-N-[6-(2-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide

3-fluoro-N-[6-(2-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide (PubChem CID 159068821) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 3-fluoro-N-[6-(2-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[6-(2-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide
PubChem CID159068821
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name3-fluoro-N-[6-(2-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide
SMILESCC(C)n1ncnc1-c1cccc(NC(=O)c2cc3ccccc3cc2F)n1
InChIInChI=1S/C21H18FN5O/c1-13(2)27-20(23-12-24-27)18-8-5-9-19(25-18)26-21(28)16-10-14-6-3-4-7-15(14)11-17(16)22/h3-13H,1-2H3,(H,25,26,28)
InChIKeyJZJRIMIEJXCSSH-UHFFFAOYSA-N
XLogP4.47
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[6-(2-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide?
The IUPAC name of 3-fluoro-N-[6-(2-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide (CID 159068821) is 3-fluoro-N-[6-(2-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-[6-(2-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-fluoro-N-[6-(2-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide is CC(C)n1ncnc1-c1cccc(NC(=O)c2cc3ccccc3cc2F)n1.
What is the InChIKey of 3-fluoro-N-[6-(2-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide?
The InChIKey is JZJRIMIEJXCSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-13(2)27-20(23-12-24-27)18-8-5-9-19(25-18)26-21(28)16-10-14-6-3-4-7-15(14)11-17(16)22/h3-13H,1-2H3,(H,25,26,28).
What are the key properties of 3-fluoro-N-[6-(2-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide?
3-fluoro-N-[6-(2-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide has a molecular weight of 375.41 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[6-(2-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide is sourced from PubChem (CID 159068821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).