methyl 5-amino-2-imino-1-propan-2-ylpyridine-4-carboxylate

C10H15N3O2 — CID 146386239

IUPACmethyl 5-amino-2-imino-1-propan-2-ylpyridine-4-carboxylate
SMILES[H]/N=c1\cc(C(=O)OC)c(N)cn1C(C)C
InChIInChI=1S/C10H15N3O2/c1-6(2)13-5-8(11)7(4-9(13)12)10(14)15-3/h4-6,12H,11H2,1-3H3/b12-9+
InChIKeyWZWMJWHJTNWCDL-FMIVXFBMSA-N
MW209.25 g/mol
LogP0.92
Rot. Bonds2

About methyl 5-amino-2-imino-1-propan-2-ylpyridine-4-carboxylate

methyl 5-amino-2-imino-1-propan-2-ylpyridine-4-carboxylate (PubChem CID 146386239) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 5-amino-2-imino-1-propan-2-ylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-imino-1-propan-2-ylpyridine-4-carboxylate
PubChem CID146386239
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namemethyl 5-amino-2-imino-1-propan-2-ylpyridine-4-carboxylate
SMILES[H]/N=c1\cc(C(=O)OC)c(N)cn1C(C)C
InChIInChI=1S/C10H15N3O2/c1-6(2)13-5-8(11)7(4-9(13)12)10(14)15-3/h4-6,12H,11H2,1-3H3/b12-9+
InChIKeyWZWMJWHJTNWCDL-FMIVXFBMSA-N
XLogP0.92
TPSA81.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 4,5-diaminobenzene-1,2-dicarboxylate
CID 14574480
methyl 2-amino-4,5-di(propan-2-yloxy)benzoate
CID 82553168
methyl 2-amino-5-propan-2-yloxybenzoate
CID 13052308
methyl 2-amino-4-methoxy-5-propan-2-yloxybenzoate
CID 84799543
azane;methyl 2-amino-5-iodobenzoate
CID 122622802
methyl 5-amino-2-oxo-1H-pyridine-4-carboxylate
CID 82413441
methyl 2-amino-5-(1-propan-2-ylpyrazol-4-yl)oxybenzoate
CID 116802590
methyl 2-amino-4-(difluoromethyl)-5-iodobenzoate
CID 59164445
methyl 2,4-diamino-5-fluorobenzoate
CID 171030778
dimethyl 4-amino-6-chlorobenzene-1,3-dicarboxylate
CID 10824163
methyl 2,5-diamino-4-methoxybenzoate
CID 171030789
dimethyl 2-amino-5-iodobenzene-1,4-dicarboxylate
CID 156788042

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-imino-1-propan-2-ylpyridine-4-carboxylate?
The IUPAC name of methyl 5-amino-2-imino-1-propan-2-ylpyridine-4-carboxylate (CID 146386239) is methyl 5-amino-2-imino-1-propan-2-ylpyridine-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-imino-1-propan-2-ylpyridine-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-imino-1-propan-2-ylpyridine-4-carboxylate is [H]/N=c1\cc(C(=O)OC)c(N)cn1C(C)C.
What is the InChIKey of methyl 5-amino-2-imino-1-propan-2-ylpyridine-4-carboxylate?
The InChIKey is WZWMJWHJTNWCDL-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6(2)13-5-8(11)7(4-9(13)12)10(14)15-3/h4-6,12H,11H2,1-3H3/b12-9+.
What are the key properties of methyl 5-amino-2-imino-1-propan-2-ylpyridine-4-carboxylate?
methyl 5-amino-2-imino-1-propan-2-ylpyridine-4-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-imino-1-propan-2-ylpyridine-4-carboxylate is sourced from PubChem (CID 146386239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).