N-(2,2-dimethylpropyl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C13H22N4O — CID 79354118

IUPACN-(2,2-dimethylpropyl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCN(CC(C)(C)C)C(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H22N4O/c1-13(2,3)7-17(4)12(18)10-5-9-11(6-14-10)16-8-15-9/h8,10,14H,5-7H2,1-4H3,(H,15,16)
InChIKeyBNKFWLSKQJTFAT-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.93
Rot. Bonds2

About N-(2,2-dimethylpropyl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-(2,2-dimethylpropyl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79354118) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID79354118
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(2,2-dimethylpropyl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCN(CC(C)(C)C)C(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H22N4O/c1-13(2,3)7-17(4)12(18)10-5-9-11(6-14-10)16-8-15-9/h8,10,14H,5-7H2,1-4H3,(H,15,16)
InChIKeyBNKFWLSKQJTFAT-UHFFFAOYSA-N
XLogP0.93
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79354118) is N-(2,2-dimethylpropyl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is CN(CC(C)(C)C)C(=O)C1Cc2nc[nH]c2CN1.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is BNKFWLSKQJTFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2,3)7-17(4)12(18)10-5-9-11(6-14-10)16-8-15-9/h8,10,14H,5-7H2,1-4H3,(H,15,16).
What are the key properties of N-(2,2-dimethylpropyl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-(2,2-dimethylpropyl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79354118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).