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

C16H17N3O — CID 103999250

IUPACN-[(1S)-1-pyridin-2-ylethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(c1)CNC2)c1ccccn1
InChIInChI=1S/C16H17N3O/c1-11(15-4-2-3-7-18-15)19-16(20)12-5-6-13-9-17-10-14(13)8-12/h2-8,11,17H,9-10H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyLHOAVMNJMZEAPB-NSHDSACASA-N
MW267.33 g/mol
LogP2.18
Rot. Bonds3

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

N-[(1S)-1-pyridin-2-ylethyl]-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103999250) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-2-ylethyl]-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-2-ylethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103999250
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-[(1S)-1-pyridin-2-ylethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(c1)CNC2)c1ccccn1
InChIInChI=1S/C16H17N3O/c1-11(15-4-2-3-7-18-15)19-16(20)12-5-6-13-9-17-10-14(13)8-12/h2-8,11,17H,9-10H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyLHOAVMNJMZEAPB-NSHDSACASA-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-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597
3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 43524264
N-(1-pyridin-3-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997950
4-amino-3-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81407020
3-amino-4-bromo-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 107813259
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999236
4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 35939821
4-(methylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168146
N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999224
4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 25337085
3-acetamido-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 41042353
4-(2-phenylethynyl)-N-(1-pyridin-2-ylethyl)benzamide
CID 24645517

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-2-ylethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-[(1S)-1-pyridin-2-ylethyl]-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103999250) is N-[(1S)-1-pyridin-2-ylethyl]-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-pyridin-2-ylethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-pyridin-2-ylethyl]-2,3-dihydro-1H-isoindole-5-carboxamide is C[C@H](NC(=O)c1ccc2c(c1)CNC2)c1ccccn1.
What is the InChIKey of N-[(1S)-1-pyridin-2-ylethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is LHOAVMNJMZEAPB-NSHDSACASA-N. The full InChI is InChI=1S/C16H17N3O/c1-11(15-4-2-3-7-18-15)19-16(20)12-5-6-13-9-17-10-14(13)8-12/h2-8,11,17H,9-10H2,1H3,(H,19,20)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-2-ylethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
N-[(1S)-1-pyridin-2-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-[(1S)-1-pyridin-2-ylethyl]-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103999250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).