2-chloro-N-(1-chloro-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide

C16H14Cl2N2O — CID 14535906

IUPAC2-chloro-N-(1-chloro-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide
SMILESCC1CC(Cl)c2cccc(NC(=O)c3cccnc3Cl)c21
InChIInChI=1S/C16H14Cl2N2O/c1-9-8-12(17)10-4-2-6-13(14(9)10)20-16(21)11-5-3-7-19-15(11)18/h2-7,9,12H,8H2,1H3,(H,20,21)
InChIKeyUKTRMEIBXZRVPV-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.77
Rot. Bonds2

About 2-chloro-N-(1-chloro-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide

2-chloro-N-(1-chloro-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide (PubChem CID 14535906) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 2-chloro-N-(1-chloro-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1-chloro-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide
PubChem CID14535906
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name2-chloro-N-(1-chloro-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide
SMILESCC1CC(Cl)c2cccc(NC(=O)c3cccnc3Cl)c21
InChIInChI=1S/C16H14Cl2N2O/c1-9-8-12(17)10-4-2-6-13(14(9)10)20-16(21)11-5-3-7-19-15(11)18/h2-7,9,12H,8H2,1H3,(H,20,21)
InChIKeyUKTRMEIBXZRVPV-UHFFFAOYSA-N
XLogP4.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethyl)-N-(1-ethyl-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide
CID 162575887
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide
CID 60628052
N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906
2-chloro-N-(1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide
CID 14535901
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide
CID 60748520
N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyridine-3-carboxamide
CID 60630965
2-acetamido-N-(2-chloro-3-pyridinyl)benzamide
CID 13143772
N-(2-chloro-3-pyridinyl)-2-fluoro-3-methylbenzamide
CID 80718513
2-chloro-N-[2-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 953108

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-chloro-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(1-chloro-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide (CID 14535906) is 2-chloro-N-(1-chloro-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(1-chloro-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(1-chloro-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide is CC1CC(Cl)c2cccc(NC(=O)c3cccnc3Cl)c21.
What is the InChIKey of 2-chloro-N-(1-chloro-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide?
The InChIKey is UKTRMEIBXZRVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c1-9-8-12(17)10-4-2-6-13(14(9)10)20-16(21)11-5-3-7-19-15(11)18/h2-7,9,12H,8H2,1H3,(H,20,21).
What are the key properties of 2-chloro-N-(1-chloro-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide?
2-chloro-N-(1-chloro-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide has a molecular weight of 321.21 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-chloro-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 14535906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).