3-[[2-[(2S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide

C18H24FN5O3 — CID 146825260

IUPAC3-[[2-[(2S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide
SMILESCOc1ccc(NC(=O)CC(C)(C)NCC(=O)N2CC(F)C[C@H]2C#N)cn1
InChIInChI=1S/C18H24FN5O3/c1-18(2,7-15(25)23-13-4-5-16(27-3)21-9-13)22-10-17(26)24-11-12(19)6-14(24)8-20/h4-5,9,12,14,22H,6-7,10-11H2,1-3H3,(H,23,25)/t12?,14-/m0/s1
InChIKeySCVMXEASQQADRG-PYMCNQPYSA-N
MW377.42 g/mol
LogP1.25
Rot. Bonds7

About 3-[[2-[(2S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide

3-[[2-[(2S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide (PubChem CID 146825260) has the molecular formula C18H24FN5O3 and a molecular weight of 377.42 g/mol. Its IUPAC name is 3-[[2-[(2S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide.

Molecular Properties

Compound Name3-[[2-[(2S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide
PubChem CID146825260
Molecular FormulaC18H24FN5O3
Molecular Weight377.42 g/mol
Exact Mass377.19
IUPAC Name3-[[2-[(2S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide
SMILESCOc1ccc(NC(=O)CC(C)(C)NCC(=O)N2CC(F)C[C@H]2C#N)cn1
InChIInChI=1S/C18H24FN5O3/c1-18(2,7-15(25)23-13-4-5-16(27-3)21-9-13)22-10-17(26)24-11-12(19)6-14(24)8-20/h4-5,9,12,14,22H,6-7,10-11H2,1-3H3,(H,23,25)/t12?,14-/m0/s1
InChIKeySCVMXEASQQADRG-PYMCNQPYSA-N
XLogP1.25
TPSA107.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[2-[(2S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide with MolForge

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Related Compounds

(2S,4S)-1-[2-(tert-butylamino)acetyl]-4-fluoropyrrolidine-2-carbonitrile
CID 44560158
2-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)acetamide
CID 60688381
6-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carboxamide
CID 44560252
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
(2R,4R)-1-(2-bromoacetyl)-4-fluoropyrrolidine-2-carbonitrile
CID 68785051
2-[(6-methoxy-3-pyridinyl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 54956647
3-(2,5-dimethylpyrrol-1-yl)-N-(6-methoxy-3-pyridinyl)propanamide
CID 110204854
(2S,4S)-1-[(3R)-3-amino-4-(4-methoxyphenyl)butanoyl]-4-fluoropyrrolidine-2-carbonitrile
CID 118712771
(4-tert-butylphenyl)methyl 4-[[2-[(4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]bicyclo[2.2.2]octane-1-carboxylate
CID 143086784
(2S,4S)-1-[2-[[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile
CID 72721620
N-tert-butyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetamide
CID 47139507
N-[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]quinoline-4-carboxamide
CID 148820534

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide?
The IUPAC name of 3-[[2-[(2S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide (CID 146825260) is 3-[[2-[(2S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide.
What is the SMILES notation for 3-[[2-[(2S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide?
The canonical SMILES for 3-[[2-[(2S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide is COc1ccc(NC(=O)CC(C)(C)NCC(=O)N2CC(F)C[C@H]2C#N)cn1.
What is the InChIKey of 3-[[2-[(2S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide?
The InChIKey is SCVMXEASQQADRG-PYMCNQPYSA-N. The full InChI is InChI=1S/C18H24FN5O3/c1-18(2,7-15(25)23-13-4-5-16(27-3)21-9-13)22-10-17(26)24-11-12(19)6-14(24)8-20/h4-5,9,12,14,22H,6-7,10-11H2,1-3H3,(H,23,25)/t12?,14-/m0/s1.
What are the key properties of 3-[[2-[(2S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide?
3-[[2-[(2S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide has a molecular weight of 377.42 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide is sourced from PubChem (CID 146825260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).