[6-(dimethylamino)-2,3-dimethyl-4-pyridinyl]methyl-methylcarbamic acid

C12H19N3O2 — CID 151142010

IUPAC[6-(dimethylamino)-2,3-dimethyl-4-pyridinyl]methyl-methylcarbamic acid
SMILESCc1nc(N(C)C)cc(CN(C)C(=O)O)c1C
InChIInChI=1S/C12H19N3O2/c1-8-9(2)13-11(14(3)4)6-10(8)7-15(5)12(16)17/h6H,7H2,1-5H3,(H,16,17)
InChIKeyMWKAWTPBGGYVRL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.87
Rot. Bonds3

About [6-(dimethylamino)-2,3-dimethyl-4-pyridinyl]methyl-methylcarbamic acid

[6-(dimethylamino)-2,3-dimethyl-4-pyridinyl]methyl-methylcarbamic acid (PubChem CID 151142010) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is [6-(dimethylamino)-2,3-dimethyl-4-pyridinyl]methyl-methylcarbamic acid.

Molecular Properties

Compound Name[6-(dimethylamino)-2,3-dimethyl-4-pyridinyl]methyl-methylcarbamic acid
PubChem CID151142010
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name[6-(dimethylamino)-2,3-dimethyl-4-pyridinyl]methyl-methylcarbamic acid
SMILESCc1nc(N(C)C)cc(CN(C)C(=O)O)c1C
InChIInChI=1S/C12H19N3O2/c1-8-9(2)13-11(14(3)4)6-10(8)7-15(5)12(16)17/h6H,7H2,1-5H3,(H,16,17)
InChIKeyMWKAWTPBGGYVRL-UHFFFAOYSA-N
XLogP1.87
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)-2,3-dimethyl-4-pyridinyl]methyl-methylcarbamic acid?
The IUPAC name of [6-(dimethylamino)-2,3-dimethyl-4-pyridinyl]methyl-methylcarbamic acid (CID 151142010) is [6-(dimethylamino)-2,3-dimethyl-4-pyridinyl]methyl-methylcarbamic acid.
What is the SMILES notation for [6-(dimethylamino)-2,3-dimethyl-4-pyridinyl]methyl-methylcarbamic acid?
The canonical SMILES for [6-(dimethylamino)-2,3-dimethyl-4-pyridinyl]methyl-methylcarbamic acid is Cc1nc(N(C)C)cc(CN(C)C(=O)O)c1C.
What is the InChIKey of [6-(dimethylamino)-2,3-dimethyl-4-pyridinyl]methyl-methylcarbamic acid?
The InChIKey is MWKAWTPBGGYVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-9(2)13-11(14(3)4)6-10(8)7-15(5)12(16)17/h6H,7H2,1-5H3,(H,16,17).
What are the key properties of [6-(dimethylamino)-2,3-dimethyl-4-pyridinyl]methyl-methylcarbamic acid?
[6-(dimethylamino)-2,3-dimethyl-4-pyridinyl]methyl-methylcarbamic acid has a molecular weight of 237.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)-2,3-dimethyl-4-pyridinyl]methyl-methylcarbamic acid is sourced from PubChem (CID 151142010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).