4-cyclopropyl-5-[5-(hydroxymethyl)-3-pyridinyl]-1-methyl-3H-indol-2-one

C18H18N2O2 — CID 66794064

IUPAC4-cyclopropyl-5-[5-(hydroxymethyl)-3-pyridinyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2c1ccc(-c1cncc(CO)c1)c2C1CC1
InChIInChI=1S/C18H18N2O2/c1-20-16-5-4-14(13-6-11(10-21)8-19-9-13)18(12-2-3-12)15(16)7-17(20)22/h4-6,8-9,12,21H,2-3,7,10H2,1H3
InChIKeyNWOCIIYNJHEETR-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.64
Rot. Bonds3

About 4-cyclopropyl-5-[5-(hydroxymethyl)-3-pyridinyl]-1-methyl-3H-indol-2-one

4-cyclopropyl-5-[5-(hydroxymethyl)-3-pyridinyl]-1-methyl-3H-indol-2-one (PubChem CID 66794064) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-cyclopropyl-5-[5-(hydroxymethyl)-3-pyridinyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name4-cyclopropyl-5-[5-(hydroxymethyl)-3-pyridinyl]-1-methyl-3H-indol-2-one
PubChem CID66794064
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-cyclopropyl-5-[5-(hydroxymethyl)-3-pyridinyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2c1ccc(-c1cncc(CO)c1)c2C1CC1
InChIInChI=1S/C18H18N2O2/c1-20-16-5-4-14(13-6-11(10-21)8-19-9-13)18(12-2-3-12)15(16)7-17(20)22/h4-6,8-9,12,21H,2-3,7,10H2,1H3
InChIKeyNWOCIIYNJHEETR-UHFFFAOYSA-N
XLogP2.64
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-chloro-1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]formamide
CID 90276968
6-[5-(aminomethyl)-3-pyridinyl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 89440497
4-chloro-1-methyl-5-(5-pyridin-3-yl-3-pyridinyl)-3H-indol-2-one
CID 66793837
[5-[1-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]methanol
CID 172550795
4-[(3-chlorophenyl)methoxy]-1-methyl-5-pyridin-3-yl-3H-indol-2-one
CID 66793948
5-[3-(hydroxymethyl)phenyl]-7,8-dimethoxy-1-methyl-3H-1,4-benzodiazepin-2-one
CID 69154835
2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide
CID 123991591
N,N-dimethyl-5-(1-methyl-2-oxo-3H-indol-5-yl)pyridine-3-carboxamide
CID 66793912
8-[5-(aminomethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 146216604
N-[2-[5-(hydroxymethyl)-3-pyridinyl]phenyl]methanesulfonamide
CID 173186512
5-(5-amino-3-pyridinyl)-1-methyl-3H-indol-2-one
CID 66793931
5-(5-ethanimidoyl-3-pyridinyl)-1-methyl-3H-indol-2-one
CID 90850295

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[5-(hydroxymethyl)-3-pyridinyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 4-cyclopropyl-5-[5-(hydroxymethyl)-3-pyridinyl]-1-methyl-3H-indol-2-one (CID 66794064) is 4-cyclopropyl-5-[5-(hydroxymethyl)-3-pyridinyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 4-cyclopropyl-5-[5-(hydroxymethyl)-3-pyridinyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 4-cyclopropyl-5-[5-(hydroxymethyl)-3-pyridinyl]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2c1ccc(-c1cncc(CO)c1)c2C1CC1.
What is the InChIKey of 4-cyclopropyl-5-[5-(hydroxymethyl)-3-pyridinyl]-1-methyl-3H-indol-2-one?
The InChIKey is NWOCIIYNJHEETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-20-16-5-4-14(13-6-11(10-21)8-19-9-13)18(12-2-3-12)15(16)7-17(20)22/h4-6,8-9,12,21H,2-3,7,10H2,1H3.
What are the key properties of 4-cyclopropyl-5-[5-(hydroxymethyl)-3-pyridinyl]-1-methyl-3H-indol-2-one?
4-cyclopropyl-5-[5-(hydroxymethyl)-3-pyridinyl]-1-methyl-3H-indol-2-one has a molecular weight of 294.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[5-(hydroxymethyl)-3-pyridinyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 66794064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).