N-methyl-N-(1-pyridin-4-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide

C17H19N3O — CID 103998577

IUPACN-methyl-N-(1-pyridin-4-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCC(c1ccncc1)N(C)C(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C17H19N3O/c1-12(13-5-7-18-8-6-13)20(2)17(21)14-3-4-15-10-19-11-16(15)9-14/h3-9,12,19H,10-11H2,1-2H3
InChIKeyVJCQUHZHNCYCMU-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.52
Rot. Bonds3

About N-methyl-N-(1-pyridin-4-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide

N-methyl-N-(1-pyridin-4-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103998577) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-methyl-N-(1-pyridin-4-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-pyridin-4-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103998577
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-methyl-N-(1-pyridin-4-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCC(c1ccncc1)N(C)C(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C17H19N3O/c1-12(13-5-7-18-8-6-13)20(2)17(21)14-3-4-15-10-19-11-16(15)9-14/h3-9,12,19H,10-11H2,1-2H3
InChIKeyVJCQUHZHNCYCMU-UHFFFAOYSA-N
XLogP2.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(1S,2S)-N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide
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CID 2796370
4-butyl-N-(pyridin-3-yl)benzamide
CID 4286311
WF-536 Hydrochloride
CID 9860439
6-[5-(Cyclopropylcarbamoyl)-2-Methylphenyl]-N-(Cyclopropylmethyl)pyridine-3-Carboxamide
CID 21914519
Pkn1/2-IN-1
CID 23585102
1-methyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585245
5-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-isoindol-1-one
CID 25093327

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-pyridin-4-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-methyl-N-(1-pyridin-4-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103998577) is N-methyl-N-(1-pyridin-4-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-methyl-N-(1-pyridin-4-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-methyl-N-(1-pyridin-4-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide is CC(c1ccncc1)N(C)C(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-methyl-N-(1-pyridin-4-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is VJCQUHZHNCYCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12(13-5-7-18-8-6-13)20(2)17(21)14-3-4-15-10-19-11-16(15)9-14/h3-9,12,19H,10-11H2,1-2H3.
What are the key properties of N-methyl-N-(1-pyridin-4-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
N-methyl-N-(1-pyridin-4-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-pyridin-4-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103998577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).