(3S)-1-(cyclopropylmethyl)-5-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide

C15H16F3N3O3 — CID 94066288

IUPAC(3S)-1-(cyclopropylmethyl)-5-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@H]1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C15H16F3N3O3/c16-15(17,18)10-4-11(14(24)19-5-10)20-13(23)9-3-12(22)21(7-9)6-8-1-2-8/h4-5,8-9H,1-3,6-7H2,(H,19,24)(H,20,23)/t9-/m0/s1
InChIKeyCMUBHLQVBSIDOQ-VIFPVBQESA-N
MW343.31 g/mol
LogP1.59
Rot. Bonds4

About (3S)-1-(cyclopropylmethyl)-5-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide

(3S)-1-(cyclopropylmethyl)-5-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide (PubChem CID 94066288) has the molecular formula C15H16F3N3O3 and a molecular weight of 343.31 g/mol. Its IUPAC name is (3S)-1-(cyclopropylmethyl)-5-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(cyclopropylmethyl)-5-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide
PubChem CID94066288
Molecular FormulaC15H16F3N3O3
Molecular Weight343.31 g/mol
Exact Mass343.11
IUPAC Name(3S)-1-(cyclopropylmethyl)-5-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@H]1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C15H16F3N3O3/c16-15(17,18)10-4-11(14(24)19-5-10)20-13(23)9-3-12(22)21(7-9)6-8-1-2-8/h4-5,8-9H,1-3,6-7H2,(H,19,24)(H,20,23)/t9-/m0/s1
InChIKeyCMUBHLQVBSIDOQ-VIFPVBQESA-N
XLogP1.59
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclopropylmethyl)-5-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(cyclopropylmethyl)-5-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide (CID 94066288) is (3S)-1-(cyclopropylmethyl)-5-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(cyclopropylmethyl)-5-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(cyclopropylmethyl)-5-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide is O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@H]1CC(=O)N(CC2CC2)C1.
What is the InChIKey of (3S)-1-(cyclopropylmethyl)-5-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide?
The InChIKey is CMUBHLQVBSIDOQ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H16F3N3O3/c16-15(17,18)10-4-11(14(24)19-5-10)20-13(23)9-3-12(22)21(7-9)6-8-1-2-8/h4-5,8-9H,1-3,6-7H2,(H,19,24)(H,20,23)/t9-/m0/s1.
What are the key properties of (3S)-1-(cyclopropylmethyl)-5-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide?
(3S)-1-(cyclopropylmethyl)-5-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 343.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclopropylmethyl)-5-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 94066288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).