N-methyl-2-[2-(6-methyl-3-pyridinyl)imidazol-1-yl]propanamide

C13H16N4O — CID 155910630

IUPACN-methyl-2-[2-(6-methyl-3-pyridinyl)imidazol-1-yl]propanamide
SMILESCNC(=O)C(C)n1ccnc1-c1ccc(C)nc1
InChIInChI=1S/C13H16N4O/c1-9-4-5-11(8-16-9)12-15-6-7-17(12)10(2)13(18)14-3/h4-8,10H,1-3H3,(H,14,18)
InChIKeyDZDCUBQGDHUXAW-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.56
Rot. Bonds3

About N-methyl-2-[2-(6-methyl-3-pyridinyl)imidazol-1-yl]propanamide

N-methyl-2-[2-(6-methyl-3-pyridinyl)imidazol-1-yl]propanamide (PubChem CID 155910630) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-methyl-2-[2-(6-methyl-3-pyridinyl)imidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-methyl-2-[2-(6-methyl-3-pyridinyl)imidazol-1-yl]propanamide
PubChem CID155910630
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-methyl-2-[2-(6-methyl-3-pyridinyl)imidazol-1-yl]propanamide
SMILESCNC(=O)C(C)n1ccnc1-c1ccc(C)nc1
InChIInChI=1S/C13H16N4O/c1-9-4-5-11(8-16-9)12-15-6-7-17(12)10(2)13(18)14-3/h4-8,10H,1-3H3,(H,14,18)
InChIKeyDZDCUBQGDHUXAW-UHFFFAOYSA-N
XLogP1.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(6-methyl-3-pyridinyl)imidazol-1-yl]propanamide?
The IUPAC name of N-methyl-2-[2-(6-methyl-3-pyridinyl)imidazol-1-yl]propanamide (CID 155910630) is N-methyl-2-[2-(6-methyl-3-pyridinyl)imidazol-1-yl]propanamide.
What is the SMILES notation for N-methyl-2-[2-(6-methyl-3-pyridinyl)imidazol-1-yl]propanamide?
The canonical SMILES for N-methyl-2-[2-(6-methyl-3-pyridinyl)imidazol-1-yl]propanamide is CNC(=O)C(C)n1ccnc1-c1ccc(C)nc1.
What is the InChIKey of N-methyl-2-[2-(6-methyl-3-pyridinyl)imidazol-1-yl]propanamide?
The InChIKey is DZDCUBQGDHUXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-4-5-11(8-16-9)12-15-6-7-17(12)10(2)13(18)14-3/h4-8,10H,1-3H3,(H,14,18).
What are the key properties of N-methyl-2-[2-(6-methyl-3-pyridinyl)imidazol-1-yl]propanamide?
N-methyl-2-[2-(6-methyl-3-pyridinyl)imidazol-1-yl]propanamide has a molecular weight of 244.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(6-methyl-3-pyridinyl)imidazol-1-yl]propanamide is sourced from PubChem (CID 155910630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).