4-methyl-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-1-(piperidin-3-ylmethyl)pyridin-2-one

C20H27N5O2 — CID 172669115

IUPAC4-methyl-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-1-(piperidin-3-ylmethyl)pyridin-2-one
SMILESCc1nc2c([nH]1)CN(C(=O)c1c(C)ccn(CC3CCCNC3)c1=O)CC2
InChIInChI=1S/C20H27N5O2/c1-13-5-8-24(11-15-4-3-7-21-10-15)19(26)18(13)20(27)25-9-6-16-17(12-25)23-14(2)22-16/h5,8,15,21H,3-4,6-7,9-12H2,1-2H3,(H,22,23)
InChIKeyZIKAOFHVEQFPRR-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.39
Rot. Bonds3

About 4-methyl-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-1-(piperidin-3-ylmethyl)pyridin-2-one

4-methyl-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-1-(piperidin-3-ylmethyl)pyridin-2-one (PubChem CID 172669115) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-methyl-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-1-(piperidin-3-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name4-methyl-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-1-(piperidin-3-ylmethyl)pyridin-2-one
PubChem CID172669115
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name4-methyl-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-1-(piperidin-3-ylmethyl)pyridin-2-one
SMILESCc1nc2c([nH]1)CN(C(=O)c1c(C)ccn(CC3CCCNC3)c1=O)CC2
InChIInChI=1S/C20H27N5O2/c1-13-5-8-24(11-15-4-3-7-21-10-15)19(26)18(13)20(27)25-9-6-16-17(12-25)23-14(2)22-16/h5,8,15,21H,3-4,6-7,9-12H2,1-2H3,(H,22,23)
InChIKeyZIKAOFHVEQFPRR-UHFFFAOYSA-N
XLogP1.39
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-1-(piperidin-3-ylmethyl)pyridin-2-one
CID 172668051
3-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride
CID 172913399
3-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride
CID 172910434
3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;dihydrochloride
CID 172912366
3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one;hydrochloride
CID 172912361
ethyl 4-[4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonyl]piperazine-1-carboxylate;hydrochloride
CID 172912301
4-methyl-1-(piperidin-3-ylmethyl)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridin-2-one;dihydrochloride
CID 172911350
3-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-4-methyl-1-(piperidin-3-ylmethyl)pyridin-2-one
CID 172660482
4-methyl-1-(piperidin-3-ylmethyl)-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridin-2-one;dihydrochloride
CID 172910355
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172911176
4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172665797
4-methyl-1-(piperidin-3-ylmethyl)-3-[4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbonyl]pyridin-2-one;dihydrochloride
CID 172910357

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-1-(piperidin-3-ylmethyl)pyridin-2-one?
The IUPAC name of 4-methyl-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-1-(piperidin-3-ylmethyl)pyridin-2-one (CID 172669115) is 4-methyl-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-1-(piperidin-3-ylmethyl)pyridin-2-one.
What is the SMILES notation for 4-methyl-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-1-(piperidin-3-ylmethyl)pyridin-2-one?
The canonical SMILES for 4-methyl-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-1-(piperidin-3-ylmethyl)pyridin-2-one is Cc1nc2c([nH]1)CN(C(=O)c1c(C)ccn(CC3CCCNC3)c1=O)CC2.
What is the InChIKey of 4-methyl-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-1-(piperidin-3-ylmethyl)pyridin-2-one?
The InChIKey is ZIKAOFHVEQFPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-13-5-8-24(11-15-4-3-7-21-10-15)19(26)18(13)20(27)25-9-6-16-17(12-25)23-14(2)22-16/h5,8,15,21H,3-4,6-7,9-12H2,1-2H3,(H,22,23).
What are the key properties of 4-methyl-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-1-(piperidin-3-ylmethyl)pyridin-2-one?
4-methyl-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-1-(piperidin-3-ylmethyl)pyridin-2-one has a molecular weight of 369.47 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)-1-(piperidin-3-ylmethyl)pyridin-2-one is sourced from PubChem (CID 172669115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).