5-methyl-N-[1-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]ethoxy]-1-[5-(trifluoromethyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-4-carboxamide

About 5-methyl-N-[1-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]ethoxy]-1-[5-(trifluoromethyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-4-carboxamide

5-methyl-N-[1-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]ethoxy]-1-[5-(trifluoromethyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 175555798) has the molecular formula C20H19F6N5O3 and a molecular weight of 491.39 g/mol. Its IUPAC name is 5-methyl-N-[1-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]ethoxy]-1-[5-(trifluoromethyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name	5-methyl-N-[1-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]ethoxy]-1-[5-(trifluoromethyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID	175555798
Molecular Formula	C20H19F6N5O3
Molecular Weight	491.39 g/mol
Exact Mass	491.14
IUPAC Name	5-methyl-N-[1-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]ethoxy]-1-[5-(trifluoromethyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILES	CC1=C(C(=O)NOC(C)c2c[nH]c(=O)c(C(F)(F)F)c2)CCN(c2ncc(C(F)(F)F)cn2)C1
InChI	InChI=1S/C20H19F6N5O3/c1-10-9-31(18-28-7-13(8-29-18)19(21,22)23)4-3-14(10)16(32)30-34-11(2)12-5-15(20(24,25)26)17(33)27-6-12/h5-8,11H,3-4,9H2,1-2H3,(H,27,33)(H,30,32)
InChIKey	NSNHVCZYAGCVOA-UHFFFAOYSA-N
XLogP	3.54
TPSA	100.21 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.39
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]ethoxy]-1-[5-(trifluoromethyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-4-carboxamide?

The IUPAC name of 5-methyl-N-[1-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]ethoxy]-1-[5-(trifluoromethyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-4-carboxamide (CID 175555798) is 5-methyl-N-[1-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]ethoxy]-1-[5-(trifluoromethyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-4-carboxamide.

What is the SMILES notation for 5-methyl-N-[1-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]ethoxy]-1-[5-(trifluoromethyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-4-carboxamide?

The canonical SMILES for 5-methyl-N-[1-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]ethoxy]-1-[5-(trifluoromethyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-4-carboxamide is CC1=C(C(=O)NOC(C)c2c[nH]c(=O)c(C(F)(F)F)c2)CCN(c2ncc(C(F)(F)F)cn2)C1.

What is the InChIKey of 5-methyl-N-[1-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]ethoxy]-1-[5-(trifluoromethyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-4-carboxamide?

The InChIKey is NSNHVCZYAGCVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F6N5O3/c1-10-9-31(18-28-7-13(8-29-18)19(21,22)23)4-3-14(10)16(32)30-34-11(2)12-5-15(20(24,25)26)17(33)27-6-12/h5-8,11H,3-4,9H2,1-2H3,(H,27,33)(H,30,32).

What are the key properties of 5-methyl-N-[1-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]ethoxy]-1-[5-(trifluoromethyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-4-carboxamide?

5-methyl-N-[1-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]ethoxy]-1-[5-(trifluoromethyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 491.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[1-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]ethoxy]-1-[5-(trifluoromethyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 175555798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).