N-methyl-N-(6-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide

C12H19N3O — CID 21060987

IUPACN-methyl-N-(6-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide
SMILESCc1ccc(N(C)C(=O)CNC(C)C)cn1
InChIInChI=1S/C12H19N3O/c1-9(2)13-8-12(16)15(4)11-6-5-10(3)14-7-11/h5-7,9,13H,8H2,1-4H3
InChIKeyOUCIAKYHOUWBTM-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.35
Rot. Bonds4

About N-methyl-N-(6-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide

N-methyl-N-(6-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide (PubChem CID 21060987) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-methyl-N-(6-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-methyl-N-(6-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide
PubChem CID21060987
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-methyl-N-(6-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide
SMILESCc1ccc(N(C)C(=O)CNC(C)C)cn1
InChIInChI=1S/C12H19N3O/c1-9(2)13-8-12(16)15(4)11-6-5-10(3)14-7-11/h5-7,9,13H,8H2,1-4H3
InChIKeyOUCIAKYHOUWBTM-UHFFFAOYSA-N
XLogP1.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(6-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-methyl-N-(6-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide (CID 21060987) is N-methyl-N-(6-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-methyl-N-(6-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-methyl-N-(6-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide is Cc1ccc(N(C)C(=O)CNC(C)C)cn1.
What is the InChIKey of N-methyl-N-(6-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide?
The InChIKey is OUCIAKYHOUWBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(2)13-8-12(16)15(4)11-6-5-10(3)14-7-11/h5-7,9,13H,8H2,1-4H3.
What are the key properties of N-methyl-N-(6-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide?
N-methyl-N-(6-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide has a molecular weight of 221.30 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(6-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 21060987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).