benzyl N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]carbamate

C17H19N3O4 — CID 26245375

IUPACbenzyl N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]carbamate
SMILESCOc1ccc(NC(=O)[C@H](C)NC(=O)OCc2ccccc2)cn1
InChIInChI=1S/C17H19N3O4/c1-12(16(21)20-14-8-9-15(23-2)18-10-14)19-17(22)24-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,21)/t12-/m0/s1
InChIKeyYKZUFJOWWRUHIG-LBPRGKRZSA-N
MW329.36 g/mol
LogP2.34
Rot. Bonds6

About benzyl N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]carbamate

benzyl N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]carbamate (PubChem CID 26245375) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is benzyl N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]carbamate
PubChem CID26245375
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Namebenzyl N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]carbamate
SMILESCOc1ccc(NC(=O)[C@H](C)NC(=O)OCc2ccccc2)cn1
InChIInChI=1S/C17H19N3O4/c1-12(16(21)20-14-8-9-15(23-2)18-10-14)19-17(22)24-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,21)/t12-/m0/s1
InChIKeyYKZUFJOWWRUHIG-LBPRGKRZSA-N
XLogP2.34
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 9210795
tert-butyl N-[1-oxo-1-[(6-phenylmethoxy-3-pyridinyl)amino]propan-2-yl]carbamate
CID 55960876
N-(6-methoxy-3-pyridinyl)-3-phenyl-2-sulfanylpropanamide
CID 107020855
3-(6-methoxy-3-pyridinyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 104985047
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
benzyl N-[1-[[1-(4-nitroanilino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 74765224
N-(6-methoxy-3-pyridinyl)-2-phenylmethoxybenzamide
CID 2344191
benzyl N-(6-butoxy-3-pyridinyl)carbamate
CID 42691168
2-[(6-methoxy-3-pyridinyl)methylamino]-N-phenylpropanamide
CID 60711152
benzyl N-[(2S)-1-(methoxymethylamino)-1-oxopropan-2-yl]carbamate
CID 14333276
benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate
CID 18108336

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]carbamate (CID 26245375) is benzyl N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]carbamate is COc1ccc(NC(=O)[C@H](C)NC(=O)OCc2ccccc2)cn1.
What is the InChIKey of benzyl N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is YKZUFJOWWRUHIG-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-12(16(21)20-14-8-9-15(23-2)18-10-14)19-17(22)24-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,21)/t12-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]carbamate?
benzyl N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 329.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 26245375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).