3-[(1-cyclopropylimidazol-2-yl)methylamino]-1-(2,2,2-trifluoroethyl)pyridin-2-one

C14H15F3N4O — CID 136569676

IUPAC3-[(1-cyclopropylimidazol-2-yl)methylamino]-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESO=c1c(NCc2nccn2C2CC2)cccn1CC(F)(F)F
InChIInChI=1S/C14H15F3N4O/c15-14(16,17)9-20-6-1-2-11(13(20)22)19-8-12-18-5-7-21(12)10-3-4-10/h1-2,5-7,10,19H,3-4,8-9H2
InChIKeyIVCVUMHUMNBSGP-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.55
Rot. Bonds5

About 3-[(1-cyclopropylimidazol-2-yl)methylamino]-1-(2,2,2-trifluoroethyl)pyridin-2-one

3-[(1-cyclopropylimidazol-2-yl)methylamino]-1-(2,2,2-trifluoroethyl)pyridin-2-one (PubChem CID 136569676) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is 3-[(1-cyclopropylimidazol-2-yl)methylamino]-1-(2,2,2-trifluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[(1-cyclopropylimidazol-2-yl)methylamino]-1-(2,2,2-trifluoroethyl)pyridin-2-one
PubChem CID136569676
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC Name3-[(1-cyclopropylimidazol-2-yl)methylamino]-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESO=c1c(NCc2nccn2C2CC2)cccn1CC(F)(F)F
InChIInChI=1S/C14H15F3N4O/c15-14(16,17)9-20-6-1-2-11(13(20)22)19-8-12-18-5-7-21(12)10-3-4-10/h1-2,5-7,10,19H,3-4,8-9H2
InChIKeyIVCVUMHUMNBSGP-UHFFFAOYSA-N
XLogP2.55
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopropylimidazol-2-yl)methylamino]-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The IUPAC name of 3-[(1-cyclopropylimidazol-2-yl)methylamino]-1-(2,2,2-trifluoroethyl)pyridin-2-one (CID 136569676) is 3-[(1-cyclopropylimidazol-2-yl)methylamino]-1-(2,2,2-trifluoroethyl)pyridin-2-one.
What is the SMILES notation for 3-[(1-cyclopropylimidazol-2-yl)methylamino]-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The canonical SMILES for 3-[(1-cyclopropylimidazol-2-yl)methylamino]-1-(2,2,2-trifluoroethyl)pyridin-2-one is O=c1c(NCc2nccn2C2CC2)cccn1CC(F)(F)F.
What is the InChIKey of 3-[(1-cyclopropylimidazol-2-yl)methylamino]-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The InChIKey is IVCVUMHUMNBSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c15-14(16,17)9-20-6-1-2-11(13(20)22)19-8-12-18-5-7-21(12)10-3-4-10/h1-2,5-7,10,19H,3-4,8-9H2.
What are the key properties of 3-[(1-cyclopropylimidazol-2-yl)methylamino]-1-(2,2,2-trifluoroethyl)pyridin-2-one?
3-[(1-cyclopropylimidazol-2-yl)methylamino]-1-(2,2,2-trifluoroethyl)pyridin-2-one has a molecular weight of 312.30 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopropylimidazol-2-yl)methylamino]-1-(2,2,2-trifluoroethyl)pyridin-2-one is sourced from PubChem (CID 136569676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).