(2R)-2-amino-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]propanamide

C18H19FN4O2 — CID 142806646

IUPAC(2R)-2-amino-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]propanamide
SMILESC[C@@H](N)C(=O)N[C@H](CF)[C@H](O)c1ccc(-c2ccc(C#N)nc2)cc1
InChIInChI=1S/C18H19FN4O2/c1-11(21)18(25)23-16(8-19)17(24)13-4-2-12(3-5-13)14-6-7-15(9-20)22-10-14/h2-7,10-11,16-17,24H,8,21H2,1H3,(H,23,25)/t11-,16-,17-/m1/s1
InChIKeyZITHJMZZIUTARN-SSKCKEOISA-N
MW342.37 g/mol
LogP1.46
Rot. Bonds6

About (2R)-2-amino-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]propanamide

(2R)-2-amino-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]propanamide (PubChem CID 142806646) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is (2R)-2-amino-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]propanamide
PubChem CID142806646
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name(2R)-2-amino-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]propanamide
SMILESC[C@@H](N)C(=O)N[C@H](CF)[C@H](O)c1ccc(-c2ccc(C#N)nc2)cc1
InChIInChI=1S/C18H19FN4O2/c1-11(21)18(25)23-16(8-19)17(24)13-4-2-12(3-5-13)14-6-7-15(9-20)22-10-14/h2-7,10-11,16-17,24H,8,21H2,1H3,(H,23,25)/t11-,16-,17-/m1/s1
InChIKeyZITHJMZZIUTARN-SSKCKEOISA-N
XLogP1.46
TPSA112.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-[1-[4-[6-(1-amino-2-cyanoethyl)-3-pyridinyl]phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
CID 123257820
N-[1-[4-(6-bromo-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-dichloroacetamide
CID 88924293
N-[(1R,2S)-1-[4-(4-cyanophenyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
CID 142806634
N-[(1R,2S)-1-[4-[6-(1-amino-2,2,2-trifluoroethyl)-3-pyridinyl]phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
CID 86695448
[(1R,2S)-1-(6-cyano-3-pyridinyl)-2-[(2,2-dichloroacetyl)amino]-3-fluoropropyl] ethyl carbonate
CID 67364882
N-[1-[4-[6-[(carbamoylamino)methyl]-3-pyridinyl]phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-dichloroacetamide
CID 123677218
2-chloro-N-[3-fluoro-1-hydroxy-1-(4-pyridin-3-ylphenyl)propan-2-yl]propanamide
CID 23570546
N-[1-[4-[6-(2-amino-1,1-difluoroethyl)-3-pyridinyl]phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
CID 123536863
N-[1-[4-[6-(3-aminopropanoyl)-3-pyridinyl]phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
CID 123922562
2,2-difluoro-N-[(1S,2S)-3-fluoro-1-hydroxy-1-[4-[6-(sulfamoylmethyl)-3-pyridinyl]phenyl]propan-2-yl]acetamide
CID 90074737
2,2-dichloro-N-[3-fluoro-1-hydroxy-1-[4-[6-[1-(methanesulfonamido)ethyl]-3-pyridinyl]phenyl]propan-2-yl]acetamide
CID 123653877
N-[(1R,2S)-1-[4-[6-(2-aminooxybutan-2-yl)-3-pyridinyl]phenyl]-3-fluoro-1-hydroxypropan-2-yl]-2,2-difluoroacetamide
CID 151616686

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]propanamide?
The IUPAC name of (2R)-2-amino-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]propanamide (CID 142806646) is (2R)-2-amino-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]propanamide is C[C@@H](N)C(=O)N[C@H](CF)[C@H](O)c1ccc(-c2ccc(C#N)nc2)cc1.
What is the InChIKey of (2R)-2-amino-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]propanamide?
The InChIKey is ZITHJMZZIUTARN-SSKCKEOISA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-11(21)18(25)23-16(8-19)17(24)13-4-2-12(3-5-13)14-6-7-15(9-20)22-10-14/h2-7,10-11,16-17,24H,8,21H2,1H3,(H,23,25)/t11-,16-,17-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]propanamide?
(2R)-2-amino-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]propanamide has a molecular weight of 342.37 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(1R,2S)-1-[4-(6-cyano-3-pyridinyl)phenyl]-3-fluoro-1-hydroxypropan-2-yl]propanamide is sourced from PubChem (CID 142806646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).