3-cyclopentyl-N-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]propanamide

C19H21F3N4O — CID 142547382

IUPAC3-cyclopentyl-N-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]propanamide
SMILESCc1cncc(-c2ncc(NC(=O)CCC3CCCC3)c(C(F)(F)F)n2)c1
InChIInChI=1S/C19H21F3N4O/c1-12-8-14(10-23-9-12)18-24-11-15(17(26-18)19(20,21)22)25-16(27)7-6-13-4-2-3-5-13/h8-11,13H,2-7H2,1H3,(H,25,27)
InChIKeyIRKONRVJOAXTMH-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.77
Rot. Bonds5

About 3-cyclopentyl-N-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]propanamide

3-cyclopentyl-N-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]propanamide (PubChem CID 142547382) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]propanamide
PubChem CID142547382
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name3-cyclopentyl-N-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]propanamide
SMILESCc1cncc(-c2ncc(NC(=O)CCC3CCCC3)c(C(F)(F)F)n2)c1
InChIInChI=1S/C19H21F3N4O/c1-12-8-14(10-23-9-12)18-24-11-15(17(26-18)19(20,21)22)25-16(27)7-6-13-4-2-3-5-13/h8-11,13H,2-7H2,1H3,(H,25,27)
InChIKeyIRKONRVJOAXTMH-UHFFFAOYSA-N
XLogP4.77
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]propanamide (CID 142547382) is 3-cyclopentyl-N-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]propanamide is Cc1cncc(-c2ncc(NC(=O)CCC3CCCC3)c(C(F)(F)F)n2)c1.
What is the InChIKey of 3-cyclopentyl-N-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]propanamide?
The InChIKey is IRKONRVJOAXTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c1-12-8-14(10-23-9-12)18-24-11-15(17(26-18)19(20,21)22)25-16(27)7-6-13-4-2-3-5-13/h8-11,13H,2-7H2,1H3,(H,25,27).
What are the key properties of 3-cyclopentyl-N-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]propanamide?
3-cyclopentyl-N-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]propanamide has a molecular weight of 378.40 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyrimidin-5-yl]propanamide is sourced from PubChem (CID 142547382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).