[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium

C11H18N3O2+ — CID 42553117

IUPAC[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium
SMILESCC(C)(C)OC(=O)Nc1ccc(C[NH3+])cn1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-9-5-4-8(6-12)7-13-9/h4-5,7H,6,12H2,1-3H3,(H,13,14,15)/p+1
InChIKeyDFLQTVPEIMTXSZ-UHFFFAOYSA-O
MW224.28 g/mol
LogP1.17
Rot. Bonds2

About [6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium

[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium (PubChem CID 42553117) has the molecular formula C11H18N3O2+ and a molecular weight of 224.28 g/mol. Its IUPAC name is [6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium.

Molecular Properties

Compound Name[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium
PubChem CID42553117
Molecular FormulaC11H18N3O2+
Molecular Weight224.28 g/mol
Exact Mass224.14
IUPAC Name[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium
SMILESCC(C)(C)OC(=O)Nc1ccc(C[NH3+])cn1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-9-5-4-8(6-12)7-13-9/h4-5,7H,6,12H2,1-3H3,(H,13,14,15)/p+1
InChIKeyDFLQTVPEIMTXSZ-UHFFFAOYSA-O
XLogP1.17
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[5-(2-aminoethyl)-2-pyridinyl]carbamate
CID 58882151
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-(5-prop-1-ynyl-2-pyridinyl)carbamate
CID 174419990
tert-butyl N-[3-[[5-(hydroxymethyl)-2-pyridinyl]amino]-3-oxopropyl]carbamate
CID 167767355
tert-butyl N-[5-(1-chloroethyl)-2-pyridinyl]carbamate
CID 178071288
tert-butyl N-[5-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-pyridinyl]carbamate
CID 107243135
tert-butyl N-[5-[(2-pyrrolidin-1-ylethylamino)methyl]-2-pyridinyl]carbamate
CID 150097350
tert-butyl N-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]carbamate
CID 66694551
tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate
CID 70798094
1-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methyl]-2-oxocyclopentane-1-carboxylic acid
CID 66886712
2-diethoxyphosphoryl-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoic acid
CID 22036015
tert-butyl 2-diethoxyphosphoryl-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate
CID 86600165

Frequently Asked Questions

What is the IUPAC name of [6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium?
The IUPAC name of [6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium (CID 42553117) is [6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium.
What is the SMILES notation for [6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium?
The canonical SMILES for [6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium is CC(C)(C)OC(=O)Nc1ccc(C[NH3+])cn1.
What is the InChIKey of [6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium?
The InChIKey is DFLQTVPEIMTXSZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-9-5-4-8(6-12)7-13-9/h4-5,7H,6,12H2,1-3H3,(H,13,14,15)/p+1.
What are the key properties of [6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium?
[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium has a molecular weight of 224.28 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium is sourced from PubChem (CID 42553117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).