methyl N-[4-[2-[(2S)-2-amino-2-phenylethyl]-4-pyridinyl]phenyl]carbamate

C21H21N3O2 — CID 69154506

IUPACmethyl N-[4-[2-[(2S)-2-amino-2-phenylethyl]-4-pyridinyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2ccnc(C[C@H](N)c3ccccc3)c2)cc1
InChIInChI=1S/C21H21N3O2/c1-26-21(25)24-18-9-7-15(8-10-18)17-11-12-23-19(13-17)14-20(22)16-5-3-2-4-6-16/h2-13,20H,14,22H2,1H3,(H,24,25)/t20-/m0/s1
InChIKeyISZYQZKWXBZAJW-FQEVSTJZSA-N
MW347.42 g/mol
LogP4.17
Rot. Bonds5

About methyl N-[4-[2-[(2S)-2-amino-2-phenylethyl]-4-pyridinyl]phenyl]carbamate

methyl N-[4-[2-[(2S)-2-amino-2-phenylethyl]-4-pyridinyl]phenyl]carbamate (PubChem CID 69154506) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is methyl N-[4-[2-[(2S)-2-amino-2-phenylethyl]-4-pyridinyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[2-[(2S)-2-amino-2-phenylethyl]-4-pyridinyl]phenyl]carbamate
PubChem CID69154506
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Namemethyl N-[4-[2-[(2S)-2-amino-2-phenylethyl]-4-pyridinyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2ccnc(C[C@H](N)c3ccccc3)c2)cc1
InChIInChI=1S/C21H21N3O2/c1-26-21(25)24-18-9-7-15(8-10-18)17-11-12-23-19(13-17)14-20(22)16-5-3-2-4-6-16/h2-13,20H,14,22H2,1H3,(H,24,25)/t20-/m0/s1
InChIKeyISZYQZKWXBZAJW-FQEVSTJZSA-N
XLogP4.17
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-(2-ethyl-4-pyridinyl)phenyl]carbamate
CID 71064947
methyl N-[4-[6-(1-amino-2-phenylethyl)pyridazin-4-yl]phenyl]carbamate
CID 66698709
2-methyl-3-(4-phenyl-2-pyridinyl)propanoic acid
CID 115009382
methyl (2S)-2-amino-3-[4-[2-(hydroxymethyl)-4-pyridinyl]phenyl]propanoate
CID 66719274
methyl N-[4-[6-[(1S)-1-amino-2-phenylethyl]-3-chloropyridazin-4-yl]phenyl]carbamate
CID 87114207
methyl N-[4-[5-(1-amino-2-phenylethyl)-6-oxo-1H-pyridazin-3-yl]phenyl]carbamate
CID 66698589
N-[4-(2-amino-2-phenylethyl)phenyl]acetamide
CID 62719671
methyl N-[4-(pyridin-2-ylmethylamino)phenyl]carbamate
CID 43730278
tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate
CID 140874182
methyl (2S)-2-amino-3-(4-methyl-2-pyridinyl)propanoate
CID 155904663
tert-butyl N-[(1S)-2-[6-(hydroxymethyl)-5-[4-(methoxycarbonylamino)phenyl]pyridazin-3-yl]-1-phenylethyl]carbamate
CID 66698513
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylacetamide
CID 67308361

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[2-[(2S)-2-amino-2-phenylethyl]-4-pyridinyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[2-[(2S)-2-amino-2-phenylethyl]-4-pyridinyl]phenyl]carbamate (CID 69154506) is methyl N-[4-[2-[(2S)-2-amino-2-phenylethyl]-4-pyridinyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[2-[(2S)-2-amino-2-phenylethyl]-4-pyridinyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[2-[(2S)-2-amino-2-phenylethyl]-4-pyridinyl]phenyl]carbamate is COC(=O)Nc1ccc(-c2ccnc(C[C@H](N)c3ccccc3)c2)cc1.
What is the InChIKey of methyl N-[4-[2-[(2S)-2-amino-2-phenylethyl]-4-pyridinyl]phenyl]carbamate?
The InChIKey is ISZYQZKWXBZAJW-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-26-21(25)24-18-9-7-15(8-10-18)17-11-12-23-19(13-17)14-20(22)16-5-3-2-4-6-16/h2-13,20H,14,22H2,1H3,(H,24,25)/t20-/m0/s1.
What are the key properties of methyl N-[4-[2-[(2S)-2-amino-2-phenylethyl]-4-pyridinyl]phenyl]carbamate?
methyl N-[4-[2-[(2S)-2-amino-2-phenylethyl]-4-pyridinyl]phenyl]carbamate has a molecular weight of 347.42 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[2-[(2S)-2-amino-2-phenylethyl]-4-pyridinyl]phenyl]carbamate is sourced from PubChem (CID 69154506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).