methyl 4-amino-2-methyl-6-propylpyridine-3-carboxylate

C11H16N2O2 — CID 19093664

IUPACmethyl 4-amino-2-methyl-6-propylpyridine-3-carboxylate
SMILESCCCc1cc(N)c(C(=O)OC)c(C)n1
InChIInChI=1S/C11H16N2O2/c1-4-5-8-6-9(12)10(7(2)13-8)11(14)15-3/h6H,4-5H2,1-3H3,(H2,12,13)
InChIKeyAWQUIKADTYZJPK-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.71
Rot. Bonds3

About methyl 4-amino-2-methyl-6-propylpyridine-3-carboxylate

methyl 4-amino-2-methyl-6-propylpyridine-3-carboxylate (PubChem CID 19093664) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 4-amino-2-methyl-6-propylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-methyl-6-propylpyridine-3-carboxylate
PubChem CID19093664
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namemethyl 4-amino-2-methyl-6-propylpyridine-3-carboxylate
SMILESCCCc1cc(N)c(C(=O)OC)c(C)n1
InChIInChI=1S/C11H16N2O2/c1-4-5-8-6-9(12)10(7(2)13-8)11(14)15-3/h6H,4-5H2,1-3H3,(H2,12,13)
InChIKeyAWQUIKADTYZJPK-UHFFFAOYSA-N
XLogP1.71
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-methyl-6-propylpyridine-3-carboxylate?
The IUPAC name of methyl 4-amino-2-methyl-6-propylpyridine-3-carboxylate (CID 19093664) is methyl 4-amino-2-methyl-6-propylpyridine-3-carboxylate.
What is the SMILES notation for methyl 4-amino-2-methyl-6-propylpyridine-3-carboxylate?
The canonical SMILES for methyl 4-amino-2-methyl-6-propylpyridine-3-carboxylate is CCCc1cc(N)c(C(=O)OC)c(C)n1.
What is the InChIKey of methyl 4-amino-2-methyl-6-propylpyridine-3-carboxylate?
The InChIKey is AWQUIKADTYZJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-4-5-8-6-9(12)10(7(2)13-8)11(14)15-3/h6H,4-5H2,1-3H3,(H2,12,13).
What are the key properties of methyl 4-amino-2-methyl-6-propylpyridine-3-carboxylate?
methyl 4-amino-2-methyl-6-propylpyridine-3-carboxylate has a molecular weight of 208.26 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-methyl-6-propylpyridine-3-carboxylate is sourced from PubChem (CID 19093664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).