methyl N-(5-amino-2-pyridinyl)carbamate

C7H9N3O2 — CID 58772637

IUPACmethyl N-(5-amino-2-pyridinyl)carbamate
SMILESCOC(=O)Nc1ccc(N)cn1
InChIInChI=1S/C7H9N3O2/c1-12-7(11)10-6-3-2-5(8)4-9-6/h2-4H,8H2,1H3,(H,9,10,11)
InChIKeyVROZBEJFGRJYDQ-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.84
Rot. Bonds1

About methyl N-(5-amino-2-pyridinyl)carbamate

methyl N-(5-amino-2-pyridinyl)carbamate (PubChem CID 58772637) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is methyl N-(5-amino-2-pyridinyl)carbamate.

Molecular Properties

Compound Namemethyl N-(5-amino-2-pyridinyl)carbamate
PubChem CID58772637
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Namemethyl N-(5-amino-2-pyridinyl)carbamate
SMILESCOC(=O)Nc1ccc(N)cn1
InChIInChI=1S/C7H9N3O2/c1-12-7(11)10-6-3-2-5(8)4-9-6/h2-4H,8H2,1H3,(H,9,10,11)
InChIKeyVROZBEJFGRJYDQ-UHFFFAOYSA-N
XLogP0.84
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

butan-2-yl N-(5-amino-2-pyridinyl)carbamate
CID 150685008
N-(5-amino-2-pyridinyl)-3,4-dimethoxybenzamide
CID 43144619
N-(5-amino-2-pyridinyl)-2-methoxy-2-phenylacetamide
CID 62099407
N-(5-amino-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112601780
N-(5-amino-2-pyridinyl)-2-(4-methylphenoxy)acetamide
CID 82330844
N-(5-amino-2-pyridinyl)-2-(dimethylamino)propanamide
CID 90369688
N-(5-amino-2-pyridinyl)-2-fluoro-4-methoxybenzamide
CID 102881864
N-(5-amino-2-pyridinyl)-2-propylpentanamide
CID 82985458
N-(5-amino-2-pyridinyl)benzamide;methane
CID 158297207
methyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate
CID 113024495
N-(5-amino-2-pyridinyl)-5-methylhexanamide
CID 115273731
N-(5-amino-2-pyridinyl)cycloheptanecarboxamide
CID 62586115

Frequently Asked Questions

What is the IUPAC name of methyl N-(5-amino-2-pyridinyl)carbamate?
The IUPAC name of methyl N-(5-amino-2-pyridinyl)carbamate (CID 58772637) is methyl N-(5-amino-2-pyridinyl)carbamate.
What is the SMILES notation for methyl N-(5-amino-2-pyridinyl)carbamate?
The canonical SMILES for methyl N-(5-amino-2-pyridinyl)carbamate is COC(=O)Nc1ccc(N)cn1.
What is the InChIKey of methyl N-(5-amino-2-pyridinyl)carbamate?
The InChIKey is VROZBEJFGRJYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-12-7(11)10-6-3-2-5(8)4-9-6/h2-4H,8H2,1H3,(H,9,10,11).
What are the key properties of methyl N-(5-amino-2-pyridinyl)carbamate?
methyl N-(5-amino-2-pyridinyl)carbamate has a molecular weight of 167.17 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5-amino-2-pyridinyl)carbamate is sourced from PubChem (CID 58772637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).