5-cyclopropyl-1-(5-methyl-2-pyridinyl)-6-oxo-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyridine-3-carboxamide

C22H20F3N5O2 — CID 46194652

IUPAC5-cyclopropyl-1-(5-methyl-2-pyridinyl)-6-oxo-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyridine-3-carboxamide
SMILESCc1ccc(-n2cc(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)cc(C3CC3)c2=O)nc1
InChIInChI=1S/C22H20F3N5O2/c1-12-3-6-18(26-8-12)30-11-15(7-17(20(30)32)14-4-5-14)19(31)29-13(2)16-9-27-21(28-10-16)22(23,24)25/h3,6-11,13-14H,4-5H2,1-2H3,(H,29,31)/t13-/m1/s1
InChIKeyNOWSUKSKTKCIBR-CYBMUJFWSA-N
MW443.43 g/mol
LogP3.72
Rot. Bonds5

About 5-cyclopropyl-1-(5-methyl-2-pyridinyl)-6-oxo-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyridine-3-carboxamide

5-cyclopropyl-1-(5-methyl-2-pyridinyl)-6-oxo-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyridine-3-carboxamide (PubChem CID 46194652) has the molecular formula C22H20F3N5O2 and a molecular weight of 443.43 g/mol. Its IUPAC name is 5-cyclopropyl-1-(5-methyl-2-pyridinyl)-6-oxo-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(5-methyl-2-pyridinyl)-6-oxo-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyridine-3-carboxamide
PubChem CID46194652
Molecular FormulaC22H20F3N5O2
Molecular Weight443.43 g/mol
Exact Mass443.16
IUPAC Name5-cyclopropyl-1-(5-methyl-2-pyridinyl)-6-oxo-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyridine-3-carboxamide
SMILESCc1ccc(-n2cc(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)cc(C3CC3)c2=O)nc1
InChIInChI=1S/C22H20F3N5O2/c1-12-3-6-18(26-8-12)30-11-15(7-17(20(30)32)14-4-5-14)19(31)29-13(2)16-9-27-21(28-10-16)22(23,24)25/h3,6-11,13-14H,4-5H2,1-2H3,(H,29,31)/t13-/m1/s1
InChIKeyNOWSUKSKTKCIBR-CYBMUJFWSA-N
XLogP3.72
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(5-methyl-2-pyridinyl)-6-oxo-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(5-methyl-2-pyridinyl)-6-oxo-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyridine-3-carboxamide (CID 46194652) is 5-cyclopropyl-1-(5-methyl-2-pyridinyl)-6-oxo-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(5-methyl-2-pyridinyl)-6-oxo-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(5-methyl-2-pyridinyl)-6-oxo-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyridine-3-carboxamide is Cc1ccc(-n2cc(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)cc(C3CC3)c2=O)nc1.
What is the InChIKey of 5-cyclopropyl-1-(5-methyl-2-pyridinyl)-6-oxo-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is NOWSUKSKTKCIBR-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H20F3N5O2/c1-12-3-6-18(26-8-12)30-11-15(7-17(20(30)32)14-4-5-14)19(31)29-13(2)16-9-27-21(28-10-16)22(23,24)25/h3,6-11,13-14H,4-5H2,1-2H3,(H,29,31)/t13-/m1/s1.
What are the key properties of 5-cyclopropyl-1-(5-methyl-2-pyridinyl)-6-oxo-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyridine-3-carboxamide?
5-cyclopropyl-1-(5-methyl-2-pyridinyl)-6-oxo-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 443.43 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(5-methyl-2-pyridinyl)-6-oxo-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 46194652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).