6-(2-aminoethyl)-4-(2,5-difluorophenyl)-N,N-dimethyl-6-phenyl-2,3-dihydropyridine-1-carboxamide

C22H25F2N3O — CID 10340050

IUPAC6-(2-aminoethyl)-4-(2,5-difluorophenyl)-N,N-dimethyl-6-phenyl-2,3-dihydropyridine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(c2cc(F)ccc2F)=CC1(CCN)c1ccccc1
InChIInChI=1S/C22H25F2N3O/c1-26(2)21(28)27-13-10-16(19-14-18(23)8-9-20(19)24)15-22(27,11-12-25)17-6-4-3-5-7-17/h3-9,14-15H,10-13,25H2,1-2H3
InChIKeyJUMFLHUTSIRCGD-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.98
Rot. Bonds4

About 6-(2-aminoethyl)-4-(2,5-difluorophenyl)-N,N-dimethyl-6-phenyl-2,3-dihydropyridine-1-carboxamide

6-(2-aminoethyl)-4-(2,5-difluorophenyl)-N,N-dimethyl-6-phenyl-2,3-dihydropyridine-1-carboxamide (PubChem CID 10340050) has the molecular formula C22H25F2N3O and a molecular weight of 385.46 g/mol. Its IUPAC name is 6-(2-aminoethyl)-4-(2,5-difluorophenyl)-N,N-dimethyl-6-phenyl-2,3-dihydropyridine-1-carboxamide.

Molecular Properties

Compound Name6-(2-aminoethyl)-4-(2,5-difluorophenyl)-N,N-dimethyl-6-phenyl-2,3-dihydropyridine-1-carboxamide
PubChem CID10340050
Molecular FormulaC22H25F2N3O
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name6-(2-aminoethyl)-4-(2,5-difluorophenyl)-N,N-dimethyl-6-phenyl-2,3-dihydropyridine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(c2cc(F)ccc2F)=CC1(CCN)c1ccccc1
InChIInChI=1S/C22H25F2N3O/c1-26(2)21(28)27-13-10-16(19-14-18(23)8-9-20(19)24)15-22(27,11-12-25)17-6-4-3-5-7-17/h3-9,14-15H,10-13,25H2,1-2H3
InChIKeyJUMFLHUTSIRCGD-UHFFFAOYSA-N
XLogP3.98
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-4-(2,5-difluorophenyl)-N,N-dimethyl-6-phenyl-2,3-dihydropyridine-1-carboxamide?
The IUPAC name of 6-(2-aminoethyl)-4-(2,5-difluorophenyl)-N,N-dimethyl-6-phenyl-2,3-dihydropyridine-1-carboxamide (CID 10340050) is 6-(2-aminoethyl)-4-(2,5-difluorophenyl)-N,N-dimethyl-6-phenyl-2,3-dihydropyridine-1-carboxamide.
What is the SMILES notation for 6-(2-aminoethyl)-4-(2,5-difluorophenyl)-N,N-dimethyl-6-phenyl-2,3-dihydropyridine-1-carboxamide?
The canonical SMILES for 6-(2-aminoethyl)-4-(2,5-difluorophenyl)-N,N-dimethyl-6-phenyl-2,3-dihydropyridine-1-carboxamide is CN(C)C(=O)N1CCC(c2cc(F)ccc2F)=CC1(CCN)c1ccccc1.
What is the InChIKey of 6-(2-aminoethyl)-4-(2,5-difluorophenyl)-N,N-dimethyl-6-phenyl-2,3-dihydropyridine-1-carboxamide?
The InChIKey is JUMFLHUTSIRCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O/c1-26(2)21(28)27-13-10-16(19-14-18(23)8-9-20(19)24)15-22(27,11-12-25)17-6-4-3-5-7-17/h3-9,14-15H,10-13,25H2,1-2H3.
What are the key properties of 6-(2-aminoethyl)-4-(2,5-difluorophenyl)-N,N-dimethyl-6-phenyl-2,3-dihydropyridine-1-carboxamide?
6-(2-aminoethyl)-4-(2,5-difluorophenyl)-N,N-dimethyl-6-phenyl-2,3-dihydropyridine-1-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-4-(2,5-difluorophenyl)-N,N-dimethyl-6-phenyl-2,3-dihydropyridine-1-carboxamide is sourced from PubChem (CID 10340050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).