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

C16H17N3O — CID 103997950

IUPACN-(1-pyridin-3-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)CNC2)c1cccnc1
InChIInChI=1S/C16H17N3O/c1-11(13-3-2-6-17-8-13)19-16(20)12-4-5-14-9-18-10-15(14)7-12/h2-8,11,18H,9-10H2,1H3,(H,19,20)
InChIKeyJYVTXSWZSRECAC-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.18
Rot. Bonds3

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

N-(1-pyridin-3-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103997950) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(1-pyridin-3-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(1-pyridin-3-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103997950
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-(1-pyridin-3-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)CNC2)c1cccnc1
InChIInChI=1S/C16H17N3O/c1-11(13-3-2-6-17-8-13)19-16(20)12-4-5-14-9-18-10-15(14)7-12/h2-8,11,18H,9-10H2,1H3,(H,19,20)
InChIKeyJYVTXSWZSRECAC-UHFFFAOYSA-N
XLogP2.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 18162974
3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 110724487
N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999224
4-amino-3-chloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81403929
4-amino-3-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81404468
N-[(1S)-1-pyridin-2-ylethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999250
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid
CID 43523910
4-bromo-N-(1-pyridin-3-ylethyl)benzamide
CID 18162969
4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 82833170
4-hydrazinyl-3-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 63212800
3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 18163096

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-3-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-(1-pyridin-3-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103997950) is N-(1-pyridin-3-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-(1-pyridin-3-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-(1-pyridin-3-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide is CC(NC(=O)c1ccc2c(c1)CNC2)c1cccnc1.
What is the InChIKey of N-(1-pyridin-3-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is JYVTXSWZSRECAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11(13-3-2-6-17-8-13)19-16(20)12-4-5-14-9-18-10-15(14)7-12/h2-8,11,18H,9-10H2,1H3,(H,19,20).
What are the key properties of N-(1-pyridin-3-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
N-(1-pyridin-3-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-3-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103997950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).