tert-butyl N-[(2R)-1-[[4-(ethylamino)-6-methoxy-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamate

C16H26N4O4 — CID 59177032

IUPACtert-butyl N-[(2R)-1-[[4-(ethylamino)-6-methoxy-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamate
SMILESCCNc1cc(OC)ncc1NC(=O)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H26N4O4/c1-7-17-11-8-13(23-6)18-9-12(11)20-14(21)10(2)19-15(22)24-16(3,4)5/h8-10H,7H2,1-6H3,(H,17,18)(H,19,22)(H,20,21)/t10-/m1/s1
InChIKeyREKPICJFPWTEID-SNVBAGLBSA-N
MW338.41 g/mol
LogP2.37
Rot. Bonds6

About tert-butyl N-[(2R)-1-[[4-(ethylamino)-6-methoxy-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2R)-1-[[4-(ethylamino)-6-methoxy-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamate (PubChem CID 59177032) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[[4-(ethylamino)-6-methoxy-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[[4-(ethylamino)-6-methoxy-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamate
PubChem CID59177032
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Nametert-butyl N-[(2R)-1-[[4-(ethylamino)-6-methoxy-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamate
SMILESCCNc1cc(OC)ncc1NC(=O)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H26N4O4/c1-7-17-11-8-13(23-6)18-9-12(11)20-14(21)10(2)19-15(22)24-16(3,4)5/h8-10H,7H2,1-6H3,(H,17,18)(H,19,22)(H,20,21)/t10-/m1/s1
InChIKeyREKPICJFPWTEID-SNVBAGLBSA-N
XLogP2.37
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(2R)-1-[[4-(ethylamino)-6-methoxy-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2S)-1-[2-(ethylamino)-3,4-difluoroanilino]-1-oxopropan-2-yl]carbamate
CID 70920806
tert-butyl N-[(2R)-1-(3,5-dimethylanilino)-1-oxopropan-2-yl]carbamate
CID 14440788
tert-butyl N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]carbamate
CID 14440786
tert-butyl N-[(2S)-1-(2-chloro-4-methylanilino)-1-oxopropan-2-yl]carbamate
CID 51938329
tert-butyl N-[1-oxo-1-[(6-phenylmethoxy-3-pyridinyl)amino]propan-2-yl]carbamate
CID 55960876
tert-butyl N-[1-(2,2-dimethylpropylamino)-1-oxopropan-2-yl]carbamate
CID 126708064
tert-butyl N-[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyanilino]-1-oxopropan-2-yl]carbamate
CID 166453865
tert-butyl N-[(2S)-1-[[1-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]naphthalen-1-yl]naphthalen-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 11592592
tert-butyl N-[(2R)-1-[4-[4-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]phenyl]anilino]-1-oxopropan-2-yl]carbamate
CID 163359763
tert-butyl N-[(2S)-1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1-oxopropan-2-yl]carbamate
CID 101469112
tert-butyl N-[(2S)-1-[(6-bromo-2-pyridinyl)amino]-1-oxopropan-2-yl]carbamate
CID 130325015
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[[4-(ethylamino)-6-methoxy-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[[4-(ethylamino)-6-methoxy-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamate (CID 59177032) is tert-butyl N-[(2R)-1-[[4-(ethylamino)-6-methoxy-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[[4-(ethylamino)-6-methoxy-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[[4-(ethylamino)-6-methoxy-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamate is CCNc1cc(OC)ncc1NC(=O)[C@@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-[[4-(ethylamino)-6-methoxy-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is REKPICJFPWTEID-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-7-17-11-8-13(23-6)18-9-12(11)20-14(21)10(2)19-15(22)24-16(3,4)5/h8-10H,7H2,1-6H3,(H,17,18)(H,19,22)(H,20,21)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[[4-(ethylamino)-6-methoxy-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[[4-(ethylamino)-6-methoxy-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 338.41 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[[4-(ethylamino)-6-methoxy-3-pyridinyl]amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 59177032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).