N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-2-methylpropanamide

C13H18N4O — CID 135256470

IUPACN-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-2-methylpropanamide
SMILESCc1nc(C)c2[nH]cnc2c1CNC(=O)C(C)C
InChIInChI=1S/C13H18N4O/c1-7(2)13(18)14-5-10-8(3)17-9(4)11-12(10)16-6-15-11/h6-7H,5H2,1-4H3,(H,14,18)(H,15,16)
InChIKeyXQNCWDWJWBTRDP-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.85
Rot. Bonds3

About N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-2-methylpropanamide

N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-2-methylpropanamide (PubChem CID 135256470) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-2-methylpropanamide
PubChem CID135256470
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-2-methylpropanamide
SMILESCc1nc(C)c2[nH]cnc2c1CNC(=O)C(C)C
InChIInChI=1S/C13H18N4O/c1-7(2)13(18)14-5-10-8(3)17-9(4)11-12(10)16-6-15-11/h6-7H,5H2,1-4H3,(H,14,18)(H,15,16)
InChIKeyXQNCWDWJWBTRDP-UHFFFAOYSA-N
XLogP1.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-2-methylpropanamide (CID 135256470) is N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-2-methylpropanamide is Cc1nc(C)c2[nH]cnc2c1CNC(=O)C(C)C.
What is the InChIKey of N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-2-methylpropanamide?
The InChIKey is XQNCWDWJWBTRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-7(2)13(18)14-5-10-8(3)17-9(4)11-12(10)16-6-15-11/h6-7H,5H2,1-4H3,(H,14,18)(H,15,16).
What are the key properties of N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-2-methylpropanamide?
N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-2-methylpropanamide has a molecular weight of 246.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-3H-imidazo[4,5-c]pyridin-7-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 135256470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).