5,6-dichloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1,3-dihydroisoindole-2-carboxamide

C19H21Cl2N3O2 — CID 170307810

IUPAC5,6-dichloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1,3-dihydroisoindole-2-carboxamide
SMILESCCCN(CC(O)c1cccnc1)C(=O)N1Cc2cc(Cl)c(Cl)cc2C1
InChIInChI=1S/C19H21Cl2N3O2/c1-2-6-23(12-18(25)13-4-3-5-22-9-13)19(26)24-10-14-7-16(20)17(21)8-15(14)11-24/h3-5,7-9,18,25H,2,6,10-12H2,1H3
InChIKeyFXQLBNMTQGRSCR-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.27
Rot. Bonds5

About 5,6-dichloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1,3-dihydroisoindole-2-carboxamide

5,6-dichloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1,3-dihydroisoindole-2-carboxamide (PubChem CID 170307810) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 5,6-dichloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1,3-dihydroisoindole-2-carboxamide
PubChem CID170307810
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Name5,6-dichloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1,3-dihydroisoindole-2-carboxamide
SMILESCCCN(CC(O)c1cccnc1)C(=O)N1Cc2cc(Cl)c(Cl)cc2C1
InChIInChI=1S/C19H21Cl2N3O2/c1-2-6-23(12-18(25)13-4-3-5-22-9-13)19(26)24-10-14-7-16(20)17(21)8-15(14)11-24/h3-5,7-9,18,25H,2,6,10-12H2,1H3
InChIKeyFXQLBNMTQGRSCR-UHFFFAOYSA-N
XLogP4.27
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,6-dichloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1,3-dihydroisoindole-2-carboxamide with MolForge

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Related Compounds

5-bromo-6-chloro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide
CID 162379666
2-(dipropylamino)-1-pyridin-3-ylethanol
CID 82216469
N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[2-(1-methylcyclopropyl)pyrimidin-5-yl]-N-propylacetamide
CID 168923813
N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-hydroxy-2-pyridin-3-ylethyl)prop-2-enamide
CID 169304212
2-(dibutylamino)-1-pyridin-3-ylethanol
CID 82216499
3-[(2-hydroxy-2-pyridin-3-ylethyl)-methylamino]propanoic acid
CID 82216497
N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 168923951
2-(3,4-dichlorophenyl)-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)acetamide
CID 162379709
tert-butyl N-[2-[4-(2-chlorophenyl)phenyl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate
CID 151652416
2-[propyl(1-pyridin-3-ylethyl)amino]acetic acid
CID 65064646
2-(4-bromophenyl)ethyl-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid
CID 69102888
1-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpropan-1-one
CID 18715054

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of 5,6-dichloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1,3-dihydroisoindole-2-carboxamide (CID 170307810) is 5,6-dichloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1,3-dihydroisoindole-2-carboxamide is CCCN(CC(O)c1cccnc1)C(=O)N1Cc2cc(Cl)c(Cl)cc2C1.
What is the InChIKey of 5,6-dichloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is FXQLBNMTQGRSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-2-6-23(12-18(25)13-4-3-5-22-9-13)19(26)24-10-14-7-16(20)17(21)8-15(14)11-24/h3-5,7-9,18,25H,2,6,10-12H2,1H3.
What are the key properties of 5,6-dichloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1,3-dihydroisoindole-2-carboxamide?
5,6-dichloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 394.30 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 170307810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).