tert-butyl N-[[4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methyl]carbamate

C16H24N4O4 — CID 138043528

IUPACtert-butyl N-[[4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methyl]carbamate
SMILESCNC(=O)C(C)NC(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H24N4O4/c1-10(13(21)17-5)20-14(22)11-6-7-18-12(8-11)9-19-15(23)24-16(2,3)4/h6-8,10H,9H2,1-5H3,(H,17,21)(H,19,23)(H,20,22)
InChIKeyFYQJZSICRDTBQD-UHFFFAOYSA-N
MW336.39 g/mol
LogP0.97
Rot. Bonds5

About tert-butyl N-[[4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methyl]carbamate

tert-butyl N-[[4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methyl]carbamate (PubChem CID 138043528) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is tert-butyl N-[[4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methyl]carbamate
PubChem CID138043528
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Nametert-butyl N-[[4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methyl]carbamate
SMILESCNC(=O)C(C)NC(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H24N4O4/c1-10(13(21)17-5)20-14(22)11-6-7-18-12(8-11)9-19-15(23)24-16(2,3)4/h6-8,10H,9H2,1-5H3,(H,17,21)(H,19,23)(H,20,22)
InChIKeyFYQJZSICRDTBQD-UHFFFAOYSA-N
XLogP0.97
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[[4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methyl]carbamate with MolForge

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Related Compounds

methyl N-[[4-(1-phenylethylcarbamoyl)-2-pyridinyl]methyl]carbamate
CID 112520281
4-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-pyridinyl]benzoic acid
CID 18617692
tert-butyl (2S)-2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 103822368
methyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112520824
tert-butyl N-[[4-(phenoxymethyl)-2-pyridinyl]methyl]carbamate
CID 156818686
tert-butyl N-[[3-[(2-chloropyridine-4-carbonyl)amino]phenyl]methyl]carbamate
CID 86673154
2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
CID 55046580
ethyl 2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]propanoate
CID 113277806
tert-butyl N-(pyrazin-2-ylmethyl)carbamate
CID 66970536
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
ethyl N-[[4-[(4-bromophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112520988
methyl N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521455

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methyl]carbamate (CID 138043528) is tert-butyl N-[[4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methyl]carbamate is CNC(=O)C(C)NC(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[[4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methyl]carbamate?
The InChIKey is FYQJZSICRDTBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-10(13(21)17-5)20-14(22)11-6-7-18-12(8-11)9-19-15(23)24-16(2,3)4/h6-8,10H,9H2,1-5H3,(H,17,21)(H,19,23)(H,20,22).
What are the key properties of tert-butyl N-[[4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methyl]carbamate?
tert-butyl N-[[4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methyl]carbamate has a molecular weight of 336.39 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 138043528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).