N-[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N-methylpyridazine-4-carboxamide

C15H13Cl2N3O2 — CID 99830769

IUPACN-[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N-methylpyridazine-4-carboxamide
SMILESCN(C(=O)c1ccnnc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O
InChIInChI=1S/C15H13Cl2N3O2/c1-20(15(22)8-2-3-18-19-7-8)14-11-4-9(16)5-12(17)10(11)6-13(14)21/h2-5,7,13-14,21H,6H2,1H3/t13-,14+/m1/s1
InChIKeyGSQCKJPVECRKPP-KGLIPLIRSA-N
MW338.19 g/mol
LogP2.51
Rot. Bonds2

About N-[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N-methylpyridazine-4-carboxamide

N-[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N-methylpyridazine-4-carboxamide (PubChem CID 99830769) has the molecular formula C15H13Cl2N3O2 and a molecular weight of 338.19 g/mol. Its IUPAC name is N-[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N-methylpyridazine-4-carboxamide
PubChem CID99830769
Molecular FormulaC15H13Cl2N3O2
Molecular Weight338.19 g/mol
Exact Mass337.04
IUPAC NameN-[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N-methylpyridazine-4-carboxamide
SMILESCN(C(=O)c1ccnnc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O
InChIInChI=1S/C15H13Cl2N3O2/c1-20(15(22)8-2-3-18-19-7-8)14-11-4-9(16)5-12(17)10(11)6-13(14)21/h2-5,7,13-14,21H,6H2,1H3/t13-,14+/m1/s1
InChIKeyGSQCKJPVECRKPP-KGLIPLIRSA-N
XLogP2.51
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]-N-methylpyridine-3-carboxamide
CID 167979688
N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 119035230
N-[(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 99795247
2-[[(1R,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-prop-2-ynylacetamide
CID 124732456
1-[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2,3-difluorophenyl)-1-methylurea
CID 99779132
(1S,2S)-4,6-dichloro-2-hydroxy-1-[methyl(sulfamoyl)amino]-2,3-dihydro-1H-indene
CID 99842404
N-[(1S,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(furan-3-yl)-N-methylacetamide
CID 99830756
N-[2-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide
CID 112841439
N-(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-N,2,5-trimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
CID 166323122
2-[[(1R,2S)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]acetonitrile
CID 94444869
4,6-dichloro-1-[methyl(3-methylbutyl)amino]-2,3-dihydro-1H-inden-2-ol
CID 112841472
2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 112841480

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N-methylpyridazine-4-carboxamide?
The IUPAC name of N-[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N-methylpyridazine-4-carboxamide (CID 99830769) is N-[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N-methylpyridazine-4-carboxamide?
The canonical SMILES for N-[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N-methylpyridazine-4-carboxamide is CN(C(=O)c1ccnnc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O.
What is the InChIKey of N-[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N-methylpyridazine-4-carboxamide?
The InChIKey is GSQCKJPVECRKPP-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2/c1-20(15(22)8-2-3-18-19-7-8)14-11-4-9(16)5-12(17)10(11)6-13(14)21/h2-5,7,13-14,21H,6H2,1H3/t13-,14+/m1/s1.
What are the key properties of N-[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N-methylpyridazine-4-carboxamide?
N-[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N-methylpyridazine-4-carboxamide has a molecular weight of 338.19 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N-methylpyridazine-4-carboxamide is sourced from PubChem (CID 99830769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).