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

C14H22N4O2 — CID 79354198

IUPACN-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCN(CC1CCCOC1)C(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C14H22N4O2/c1-18(7-10-3-2-4-20-8-10)14(19)12-5-11-13(6-15-12)17-9-16-11/h9-10,12,15H,2-8H2,1H3,(H,16,17)
InChIKeyWZQRROSVKLEMIA-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.31
Rot. Bonds3

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

N-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79354198) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID79354198
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCN(CC1CCCOC1)C(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C14H22N4O2/c1-18(7-10-3-2-4-20-8-10)14(19)12-5-11-13(6-15-12)17-9-16-11/h9-10,12,15H,2-8H2,1H3,(H,16,17)
InChIKeyWZQRROSVKLEMIA-UHFFFAOYSA-N
XLogP0.31
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide with MolForge

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Related Compounds

N-(2,2-dimethylpropyl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79354118
N-(oxan-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79354196
N-(1-methoxypropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79353693
(5S)-N,2-dimethyl-N-[[(3R)-oxan-3-yl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 129393812
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
3-amino-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 63712787
N-methyl-N-(oxan-3-ylmethyl)piperidine-3-carboxamide
CID 55227214
N-methyl-N-(oxan-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 63706871
2-(cyclopentylamino)-N-methyl-N-(oxan-3-ylmethyl)acetamide
CID 63712361
2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64837348
azocan-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 79354450
ethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate
CID 63717734

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79354198) is N-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is CN(CC1CCCOC1)C(=O)C1Cc2nc[nH]c2CN1.
What is the InChIKey of N-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is WZQRROSVKLEMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-18(7-10-3-2-4-20-8-10)14(19)12-5-11-13(6-15-12)17-9-16-11/h9-10,12,15H,2-8H2,1H3,(H,16,17).
What are the key properties of N-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-3-ylmethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79354198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).