1-(1-methylpyrrol-3-yl)-3-(propan-2-ylamino)-5-(trifluoromethyl)pyridin-2-one

C14H16F3N3O — CID 154605285

IUPAC1-(1-methylpyrrol-3-yl)-3-(propan-2-ylamino)-5-(trifluoromethyl)pyridin-2-one
SMILESCC(C)Nc1cc(C(F)(F)F)cn(-c2ccn(C)c2)c1=O
InChIInChI=1S/C14H16F3N3O/c1-9(2)18-12-6-10(14(15,16)17)7-20(13(12)21)11-4-5-19(3)8-11/h4-9,18H,1-3H3
InChIKeyCGWNIBNVOQOQHB-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.02
Rot. Bonds3

About 1-(1-methylpyrrol-3-yl)-3-(propan-2-ylamino)-5-(trifluoromethyl)pyridin-2-one

1-(1-methylpyrrol-3-yl)-3-(propan-2-ylamino)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 154605285) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 1-(1-methylpyrrol-3-yl)-3-(propan-2-ylamino)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(1-methylpyrrol-3-yl)-3-(propan-2-ylamino)-5-(trifluoromethyl)pyridin-2-one
PubChem CID154605285
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name1-(1-methylpyrrol-3-yl)-3-(propan-2-ylamino)-5-(trifluoromethyl)pyridin-2-one
SMILESCC(C)Nc1cc(C(F)(F)F)cn(-c2ccn(C)c2)c1=O
InChIInChI=1S/C14H16F3N3O/c1-9(2)18-12-6-10(14(15,16)17)7-20(13(12)21)11-4-5-19(3)8-11/h4-9,18H,1-3H3
InChIKeyCGWNIBNVOQOQHB-UHFFFAOYSA-N
XLogP3.02
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3Z)-3-[4-(1-butylpyrrol-3-yl)-1,4-diazepan-2-ylidene]-1,1,1-trifluoropropan-2-one
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1-(1H-pyrrol-3-yl)-5-(trifluoromethyl)pyridin-2-one
CID 25226713
1-[(1-Amino-3-pyrrol-1-ylpropan-2-yl)amino]-5,5,5-trifluoropent-3-en-2-one
CID 67842886
2,2,2-trifluoro-N-methyl-N-(1H-pyrrol-3-yl)acetamide
CID 115190191
2-[3-(ethylaminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66405518
2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66405595
2-[3-(propylaminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66405738
2-[3-(methylaminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66405899
2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66405959
2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66406381
2-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66406415
2-[3-(aminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66409062

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-3-yl)-3-(propan-2-ylamino)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(1-methylpyrrol-3-yl)-3-(propan-2-ylamino)-5-(trifluoromethyl)pyridin-2-one (CID 154605285) is 1-(1-methylpyrrol-3-yl)-3-(propan-2-ylamino)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(1-methylpyrrol-3-yl)-3-(propan-2-ylamino)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(1-methylpyrrol-3-yl)-3-(propan-2-ylamino)-5-(trifluoromethyl)pyridin-2-one is CC(C)Nc1cc(C(F)(F)F)cn(-c2ccn(C)c2)c1=O.
What is the InChIKey of 1-(1-methylpyrrol-3-yl)-3-(propan-2-ylamino)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is CGWNIBNVOQOQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-9(2)18-12-6-10(14(15,16)17)7-20(13(12)21)11-4-5-19(3)8-11/h4-9,18H,1-3H3.
What are the key properties of 1-(1-methylpyrrol-3-yl)-3-(propan-2-ylamino)-5-(trifluoromethyl)pyridin-2-one?
1-(1-methylpyrrol-3-yl)-3-(propan-2-ylamino)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 299.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-3-yl)-3-(propan-2-ylamino)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 154605285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).