N-(1-amino-1-oxo-3-phenylbutan-2-yl)-5-(1,1-difluoroethyl)pyridine-2-carboxamide

C18H19F2N3O2 — CID 167915612

IUPACN-(1-amino-1-oxo-3-phenylbutan-2-yl)-5-(1,1-difluoroethyl)pyridine-2-carboxamide
SMILESCC(c1ccccc1)C(NC(=O)c1ccc(C(C)(F)F)cn1)C(N)=O
InChIInChI=1S/C18H19F2N3O2/c1-11(12-6-4-3-5-7-12)15(16(21)24)23-17(25)14-9-8-13(10-22-14)18(2,19)20/h3-11,15H,1-2H3,(H2,21,24)(H,23,25)
InChIKeyJFQJHAYSZTYFDY-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.58
Rot. Bonds6

About N-(1-amino-1-oxo-3-phenylbutan-2-yl)-5-(1,1-difluoroethyl)pyridine-2-carboxamide

N-(1-amino-1-oxo-3-phenylbutan-2-yl)-5-(1,1-difluoroethyl)pyridine-2-carboxamide (PubChem CID 167915612) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(1-amino-1-oxo-3-phenylbutan-2-yl)-5-(1,1-difluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxo-3-phenylbutan-2-yl)-5-(1,1-difluoroethyl)pyridine-2-carboxamide
PubChem CID167915612
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC NameN-(1-amino-1-oxo-3-phenylbutan-2-yl)-5-(1,1-difluoroethyl)pyridine-2-carboxamide
SMILESCC(c1ccccc1)C(NC(=O)c1ccc(C(C)(F)F)cn1)C(N)=O
InChIInChI=1S/C18H19F2N3O2/c1-11(12-6-4-3-5-7-12)15(16(21)24)23-17(25)14-9-8-13(10-22-14)18(2,19)20/h3-11,15H,1-2H3,(H2,21,24)(H,23,25)
InChIKeyJFQJHAYSZTYFDY-UHFFFAOYSA-N
XLogP2.58
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S,3S)-1-amino-1-oxo-3-phenylbutan-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
CID 125143866
(2R)-2-[(5-tert-butylpyridine-2-carbonyl)amino]propanoic acid
CID 122107922
N-but-3-yn-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114389784
ethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate
CID 115593424
4-amino-4-oxo-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid
CID 114908307
3-[(5-tert-butylpyridine-2-carbonyl)amino]butanoic acid
CID 122107646
2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid
CID 114908315
N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-carbamothioylpyridine-2-carboxamide
CID 106345629
(2S)-2-benzamido-3-phenylbutanoic acid
CID 18652423
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909242
5-(3-methylpentan-3-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 176964984
2-phenyl-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid
CID 167810033

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxo-3-phenylbutan-2-yl)-5-(1,1-difluoroethyl)pyridine-2-carboxamide?
The IUPAC name of N-(1-amino-1-oxo-3-phenylbutan-2-yl)-5-(1,1-difluoroethyl)pyridine-2-carboxamide (CID 167915612) is N-(1-amino-1-oxo-3-phenylbutan-2-yl)-5-(1,1-difluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxo-3-phenylbutan-2-yl)-5-(1,1-difluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(1-amino-1-oxo-3-phenylbutan-2-yl)-5-(1,1-difluoroethyl)pyridine-2-carboxamide is CC(c1ccccc1)C(NC(=O)c1ccc(C(C)(F)F)cn1)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxo-3-phenylbutan-2-yl)-5-(1,1-difluoroethyl)pyridine-2-carboxamide?
The InChIKey is JFQJHAYSZTYFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c1-11(12-6-4-3-5-7-12)15(16(21)24)23-17(25)14-9-8-13(10-22-14)18(2,19)20/h3-11,15H,1-2H3,(H2,21,24)(H,23,25).
What are the key properties of N-(1-amino-1-oxo-3-phenylbutan-2-yl)-5-(1,1-difluoroethyl)pyridine-2-carboxamide?
N-(1-amino-1-oxo-3-phenylbutan-2-yl)-5-(1,1-difluoroethyl)pyridine-2-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxo-3-phenylbutan-2-yl)-5-(1,1-difluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 167915612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).