tert-butyl N-[(2S)-1-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-1-cyclopropylidenepropan-2-yl]carbamate

C18H23FN4O2 — CID 163884767

IUPACtert-butyl N-[(2S)-1-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-1-cyclopropylidenepropan-2-yl]carbamate
SMILESCc1nc(NC(=C2CC2)[C@H](C)NC(=O)OC(C)(C)C)c(F)cc1C#N
InChIInChI=1S/C18H23FN4O2/c1-10-13(9-20)8-14(19)16(21-10)23-15(12-6-7-12)11(2)22-17(24)25-18(3,4)5/h8,11H,6-7H2,1-5H3,(H,21,23)(H,22,24)/t11-/m0/s1
InChIKeyPWJXXBISGOOSOC-NSHDSACASA-N
MW346.41 g/mol
LogP3.77
Rot. Bonds4

About tert-butyl N-[(2S)-1-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-1-cyclopropylidenepropan-2-yl]carbamate

tert-butyl N-[(2S)-1-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-1-cyclopropylidenepropan-2-yl]carbamate (PubChem CID 163884767) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-1-cyclopropylidenepropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-1-cyclopropylidenepropan-2-yl]carbamate
PubChem CID163884767
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Nametert-butyl N-[(2S)-1-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-1-cyclopropylidenepropan-2-yl]carbamate
SMILESCc1nc(NC(=C2CC2)[C@H](C)NC(=O)OC(C)(C)C)c(F)cc1C#N
InChIInChI=1S/C18H23FN4O2/c1-10-13(9-20)8-14(19)16(21-10)23-15(12-6-7-12)11(2)22-17(24)25-18(3,4)5/h8,11H,6-7H2,1-5H3,(H,21,23)(H,22,24)/t11-/m0/s1
InChIKeyPWJXXBISGOOSOC-NSHDSACASA-N
XLogP3.77
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2S)-1-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-1-cyclopropylidenepropan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(2S)-3-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]butan-2-yl]carbamate
CID 134187435
tert-butyl N-[(1S)-2-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]-1-hydroxypropyl]carbamate
CID 152815387
tert-butyl N-[(2S)-2-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyrazol-1-ylpropyl]carbamate
CID 163415359
tert-butyl N-[(2S)-1-[(6-chloro-5-cyano-3-fluoro-2-pyridinyl)amino]-1-phenylpropan-2-yl]carbamate
CID 134187768
tert-butyl N-[1-(4-cyano-3-fluorophenyl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 70693139
tert-butyl N-(5-chloro-4-cyano-2-fluorophenyl)carbamate
CID 162439866
tert-butyl N-[1-(4-cyano-1,2-oxazol-3-yl)ethyl]carbamate
CID 130855846
tert-butyl N-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]carbamate
CID 43184932
tert-butyl N-[(2R)-4-cyano-3-oxobutan-2-yl]carbamate
CID 178105123
3-O-tert-butyl 1-O-methyl 2-[3-cyano-5-fluoro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]propanedioate
CID 58936501
tert-butyl N-[1-(3-cyano-5-fluorophenyl)ethyl]carbamate
CID 86651093
tert-butyl N-[(2R)-1-(5-methylfuran-3-yl)-1-oxopropan-2-yl]carbamate
CID 165465733

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-1-cyclopropylidenepropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-1-cyclopropylidenepropan-2-yl]carbamate (CID 163884767) is tert-butyl N-[(2S)-1-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-1-cyclopropylidenepropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-1-cyclopropylidenepropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-1-cyclopropylidenepropan-2-yl]carbamate is Cc1nc(NC(=C2CC2)[C@H](C)NC(=O)OC(C)(C)C)c(F)cc1C#N.
What is the InChIKey of tert-butyl N-[(2S)-1-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-1-cyclopropylidenepropan-2-yl]carbamate?
The InChIKey is PWJXXBISGOOSOC-NSHDSACASA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-10-13(9-20)8-14(19)16(21-10)23-15(12-6-7-12)11(2)22-17(24)25-18(3,4)5/h8,11H,6-7H2,1-5H3,(H,21,23)(H,22,24)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-1-cyclopropylidenepropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-1-cyclopropylidenepropan-2-yl]carbamate has a molecular weight of 346.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[(5-cyano-3-fluoro-6-methyl-2-pyridinyl)amino]-1-cyclopropylidenepropan-2-yl]carbamate is sourced from PubChem (CID 163884767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).