2-(dimethylamino)ethyl-(4,6-dimethyl-2-pyridinyl)carbamic acid

C12H19N3O2 — CID 70532570

IUPAC2-(dimethylamino)ethyl-(4,6-dimethyl-2-pyridinyl)carbamic acid
SMILESCc1cc(C)nc(N(CCN(C)C)C(=O)O)c1
InChIInChI=1S/C12H19N3O2/c1-9-7-10(2)13-11(8-9)15(12(16)17)6-5-14(3)4/h7-8H,5-6H2,1-4H3,(H,16,17)
InChIKeyZOTCQABQLSQSNC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.74
Rot. Bonds4

About 2-(dimethylamino)ethyl-(4,6-dimethyl-2-pyridinyl)carbamic acid

2-(dimethylamino)ethyl-(4,6-dimethyl-2-pyridinyl)carbamic acid (PubChem CID 70532570) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl-(4,6-dimethyl-2-pyridinyl)carbamic acid.

Molecular Properties

Compound Name2-(dimethylamino)ethyl-(4,6-dimethyl-2-pyridinyl)carbamic acid
PubChem CID70532570
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(dimethylamino)ethyl-(4,6-dimethyl-2-pyridinyl)carbamic acid
SMILESCc1cc(C)nc(N(CCN(C)C)C(=O)O)c1
InChIInChI=1S/C12H19N3O2/c1-9-7-10(2)13-11(8-9)15(12(16)17)6-5-14(3)4/h7-8H,5-6H2,1-4H3,(H,16,17)
InChIKeyZOTCQABQLSQSNC-UHFFFAOYSA-N
XLogP1.74
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl-(4,6-dimethyl-2-pyridinyl)carbamic acid?
The IUPAC name of 2-(dimethylamino)ethyl-(4,6-dimethyl-2-pyridinyl)carbamic acid (CID 70532570) is 2-(dimethylamino)ethyl-(4,6-dimethyl-2-pyridinyl)carbamic acid.
What is the SMILES notation for 2-(dimethylamino)ethyl-(4,6-dimethyl-2-pyridinyl)carbamic acid?
The canonical SMILES for 2-(dimethylamino)ethyl-(4,6-dimethyl-2-pyridinyl)carbamic acid is Cc1cc(C)nc(N(CCN(C)C)C(=O)O)c1.
What is the InChIKey of 2-(dimethylamino)ethyl-(4,6-dimethyl-2-pyridinyl)carbamic acid?
The InChIKey is ZOTCQABQLSQSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-7-10(2)13-11(8-9)15(12(16)17)6-5-14(3)4/h7-8H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 2-(dimethylamino)ethyl-(4,6-dimethyl-2-pyridinyl)carbamic acid?
2-(dimethylamino)ethyl-(4,6-dimethyl-2-pyridinyl)carbamic acid has a molecular weight of 237.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl-(4,6-dimethyl-2-pyridinyl)carbamic acid is sourced from PubChem (CID 70532570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).