6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-ylamino)propyl]-1H-pyridin-2-one

C21H20FN5O — CID 137477572

IUPAC6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-ylamino)propyl]-1H-pyridin-2-one
SMILESCC(C)C(Nc1ncn[nH]1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C21H20FN5O/c1-12(2)19(26-21-23-11-24-27-21)15-8-9-18(25-20(15)28)14-7-6-13-4-3-5-17(22)16(13)10-14/h3-12,19H,1-2H3,(H,25,28)(H2,23,24,26,27)
InChIKeyJZQCJXRTDMYCEG-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.26
Rot. Bonds5

About 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-ylamino)propyl]-1H-pyridin-2-one

6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-ylamino)propyl]-1H-pyridin-2-one (PubChem CID 137477572) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-ylamino)propyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-ylamino)propyl]-1H-pyridin-2-one
PubChem CID137477572
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-ylamino)propyl]-1H-pyridin-2-one
SMILESCC(C)C(Nc1ncn[nH]1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C21H20FN5O/c1-12(2)19(26-21-23-11-24-27-21)15-8-9-18(25-20(15)28)14-7-6-13-4-3-5-17(22)16(13)10-14/h3-12,19H,1-2H3,(H,25,28)(H2,23,24,26,27)
InChIKeyJZQCJXRTDMYCEG-UHFFFAOYSA-N
XLogP4.26
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-ylamino)propyl]-1H-pyridin-2-one?
The IUPAC name of 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-ylamino)propyl]-1H-pyridin-2-one (CID 137477572) is 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-ylamino)propyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-ylamino)propyl]-1H-pyridin-2-one?
The canonical SMILES for 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-ylamino)propyl]-1H-pyridin-2-one is CC(C)C(Nc1ncn[nH]1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O.
What is the InChIKey of 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-ylamino)propyl]-1H-pyridin-2-one?
The InChIKey is JZQCJXRTDMYCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c1-12(2)19(26-21-23-11-24-27-21)15-8-9-18(25-20(15)28)14-7-6-13-4-3-5-17(22)16(13)10-14/h3-12,19H,1-2H3,(H,25,28)(H2,23,24,26,27).
What are the key properties of 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-ylamino)propyl]-1H-pyridin-2-one?
6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-ylamino)propyl]-1H-pyridin-2-one has a molecular weight of 377.42 g/mol, XLogP of 4.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-ylamino)propyl]-1H-pyridin-2-one is sourced from PubChem (CID 137477572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).