5-[[1-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1H-pyridin-2-one

C20H22N4O2 — CID 163304789

IUPAC5-[[1-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1H-pyridin-2-one
SMILESCn1ccc2ccc(C(=O)N3CCC(Cc4ccc(=O)[nH]c4)CC3)nc21
InChIInChI=1S/C20H22N4O2/c1-23-9-8-16-3-4-17(22-19(16)23)20(26)24-10-6-14(7-11-24)12-15-2-5-18(25)21-13-15/h2-5,8-9,13-14H,6-7,10-12H2,1H3,(H,21,25)
InChIKeyPVCHFZQQARUBDV-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.36
Rot. Bonds3

About 5-[[1-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1H-pyridin-2-one

5-[[1-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1H-pyridin-2-one (PubChem CID 163304789) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-[[1-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[1-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1H-pyridin-2-one
PubChem CID163304789
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5-[[1-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1H-pyridin-2-one
SMILESCn1ccc2ccc(C(=O)N3CCC(Cc4ccc(=O)[nH]c4)CC3)nc21
InChIInChI=1S/C20H22N4O2/c1-23-9-8-16-3-4-17(22-19(16)23)20(26)24-10-6-14(7-11-24)12-15-2-5-18(25)21-13-15/h2-5,8-9,13-14H,6-7,10-12H2,1H3,(H,21,25)
InChIKeyPVCHFZQQARUBDV-UHFFFAOYSA-N
XLogP2.36
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[1-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1H-pyridin-2-one with MolForge

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Related Compounds

1-(azepan-1-yl)-4-[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]butane-1,4-dione
CID 138379375
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide
CID 137343816
5-[[1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 138384300
5-[[1-(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 138381061
5-[[1-[(1R,2R,4S)-2-ethyl-7-azabicyclo[2.2.1]heptane-2-carbonyl]piperidin-4-yl]methyl]-1H-pyridin-2-one;dihydrochloride
CID 154920097
N-(3-methylsulfanylphenyl)-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide
CID 138382404
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 136541158
2-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetic acid
CID 78980909
3-(4-propylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 103720325
(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 110685777
6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 43391811
2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615807

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[[1-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1H-pyridin-2-one (CID 163304789) is 5-[[1-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[1-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[[1-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1H-pyridin-2-one is Cn1ccc2ccc(C(=O)N3CCC(Cc4ccc(=O)[nH]c4)CC3)nc21.
What is the InChIKey of 5-[[1-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1H-pyridin-2-one?
The InChIKey is PVCHFZQQARUBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-23-9-8-16-3-4-17(22-19(16)23)20(26)24-10-6-14(7-11-24)12-15-2-5-18(25)21-13-15/h2-5,8-9,13-14H,6-7,10-12H2,1H3,(H,21,25).
What are the key properties of 5-[[1-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1H-pyridin-2-one?
5-[[1-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1H-pyridin-2-one has a molecular weight of 350.42 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(1-methylpyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 163304789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).