N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]pyridine-2-carboxamide

C17H22FN5O2 — CID 44560253

IUPACN-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]pyridine-2-carboxamide
SMILESCC(C)(CNC(=O)c1ccccn1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N
InChIInChI=1S/C17H22FN5O2/c1-17(2,11-21-16(25)14-5-3-4-6-20-14)22-9-15(24)23-10-12(18)7-13(23)8-19/h3-6,12-13,22H,7,9-11H2,1-2H3,(H,21,25)/t12-,13-/m0/s1
InChIKeyXLZNCDQDMHLBED-STQMWFEESA-N
MW347.39 g/mol
LogP0.64
Rot. Bonds6

About N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]pyridine-2-carboxamide

N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]pyridine-2-carboxamide (PubChem CID 44560253) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]pyridine-2-carboxamide
PubChem CID44560253
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC NameN-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]pyridine-2-carboxamide
SMILESCC(C)(CNC(=O)c1ccccn1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N
InChIInChI=1S/C17H22FN5O2/c1-17(2,11-21-16(25)14-5-3-4-6-20-14)22-9-15(24)23-10-12(18)7-13(23)8-19/h3-6,12-13,22H,7,9-11H2,1-2H3,(H,21,25)/t12-,13-/m0/s1
InChIKeyXLZNCDQDMHLBED-STQMWFEESA-N
XLogP0.64
TPSA98.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]pyridine-2-carboxamide with MolForge

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Related Compounds

Kdoam-25
CID 91810435
5-[[(3R)-1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-yl]amino]-N-methylpyridine-2-carboxamide
CID 168177312
5-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-yl]amino]-N-methylpyridine-2-carboxamide
CID 168177329
N-cyclohexyl-1-methylpyrrole-2-carboxamide
CID 24978957
N-cyclohexylpyridine-2-carboxamide
CID 10608271
N-methylpyridine-2-carboxamide
CID 12272691
Kdoam-28
CID 126961672
Kdoam-29
CID 126961673
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-2-carboxamide
CID 2986895
N-{1-[(cyclopentylamino)carbonyl]-1-methylpropyl}-N-methylpyridine-2-carboxamide
CID 3515437
N-[2-(dimethylamino)ethyl]-2-(7-fluoro-4-oxopyrrolo[1,2-a]quinoxalin-5(4H)-yl)acetamide
CID 16018228
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpyridine-2-carboxamide
CID 25161578

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]pyridine-2-carboxamide (CID 44560253) is N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]pyridine-2-carboxamide is CC(C)(CNC(=O)c1ccccn1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N.
What is the InChIKey of N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]pyridine-2-carboxamide?
The InChIKey is XLZNCDQDMHLBED-STQMWFEESA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-17(2,11-21-16(25)14-5-3-4-6-20-14)22-9-15(24)23-10-12(18)7-13(23)8-19/h3-6,12-13,22H,7,9-11H2,1-2H3,(H,21,25)/t12-,13-/m0/s1.
What are the key properties of N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]pyridine-2-carboxamide?
N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]pyridine-2-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]pyridine-2-carboxamide is sourced from PubChem (CID 44560253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).