N-[(3R)-1-[6-[2-(difluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide;molecular hydrogen

C19H24F2N4O — CID 159794239

IUPACN-[(3R)-1-[6-[2-(difluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide;molecular hydrogen
SMILESCC(C)C(=O)N[C@@H]1CCN(c2cncc(-c3ccccc3C(F)F)n2)C1.[H][H]
InChIInChI=1S/C19H22F2N4O.H2/c1-12(2)19(26)23-13-7-8-25(11-13)17-10-22-9-16(24-17)14-5-3-4-6-15(14)18(20)21;/h3-6,9-10,12-13,18H,7-8,11H2,1-2H3,(H,23,26);1H/t13-;/m1./s1
InChIKeyNIYQGLSOLAOKDH-BTQNPOSSSA-N
MW362.42 g/mol
LogP3.68
Rot. Bonds5

About N-[(3R)-1-[6-[2-(difluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide;molecular hydrogen

N-[(3R)-1-[6-[2-(difluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide;molecular hydrogen (PubChem CID 159794239) has the molecular formula C19H24F2N4O and a molecular weight of 362.42 g/mol. Its IUPAC name is N-[(3R)-1-[6-[2-(difluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(3R)-1-[6-[2-(difluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide;molecular hydrogen
PubChem CID159794239
Molecular FormulaC19H24F2N4O
Molecular Weight362.42 g/mol
Exact Mass362.19
IUPAC NameN-[(3R)-1-[6-[2-(difluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide;molecular hydrogen
SMILESCC(C)C(=O)N[C@@H]1CCN(c2cncc(-c3ccccc3C(F)F)n2)C1.[H][H]
InChIInChI=1S/C19H22F2N4O.H2/c1-12(2)19(26)23-13-7-8-25(11-13)17-10-22-9-16(24-17)14-5-3-4-6-15(14)18(20)21;/h3-6,9-10,12-13,18H,7-8,11H2,1-2H3,(H,23,26);1H/t13-;/m1./s1
InChIKeyNIYQGLSOLAOKDH-BTQNPOSSSA-N
XLogP3.68
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[6-[2-(difluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide;molecular hydrogen?
The IUPAC name of N-[(3R)-1-[6-[2-(difluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide;molecular hydrogen (CID 159794239) is N-[(3R)-1-[6-[2-(difluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide;molecular hydrogen.
What is the SMILES notation for N-[(3R)-1-[6-[2-(difluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide;molecular hydrogen?
The canonical SMILES for N-[(3R)-1-[6-[2-(difluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide;molecular hydrogen is CC(C)C(=O)N[C@@H]1CCN(c2cncc(-c3ccccc3C(F)F)n2)C1.[H][H].
What is the InChIKey of N-[(3R)-1-[6-[2-(difluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide;molecular hydrogen?
The InChIKey is NIYQGLSOLAOKDH-BTQNPOSSSA-N. The full InChI is InChI=1S/C19H22F2N4O.H2/c1-12(2)19(26)23-13-7-8-25(11-13)17-10-22-9-16(24-17)14-5-3-4-6-15(14)18(20)21;/h3-6,9-10,12-13,18H,7-8,11H2,1-2H3,(H,23,26);1H/t13-;/m1./s1.
What are the key properties of N-[(3R)-1-[6-[2-(difluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide;molecular hydrogen?
N-[(3R)-1-[6-[2-(difluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide;molecular hydrogen has a molecular weight of 362.42 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[6-[2-(difluoromethyl)phenyl]pyrazin-2-yl]pyrrolidin-3-yl]-2-methylpropanamide;molecular hydrogen is sourced from PubChem (CID 159794239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).