2-chloro-N-(1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide

C17H17ClN2O — CID 14535901

IUPAC2-chloro-N-(1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide
SMILESCC1(C)CCc2c(NC(=O)c3cccnc3Cl)cccc21
InChIInChI=1S/C17H17ClN2O/c1-17(2)9-8-11-13(17)6-3-7-14(11)20-16(21)12-5-4-10-19-15(12)18/h3-7,10H,8-9H2,1-2H3,(H,20,21)
InChIKeyJWAMPRHAFCNLIK-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.21
Rot. Bonds2

About 2-chloro-N-(1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide

2-chloro-N-(1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide (PubChem CID 14535901) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-chloro-N-(1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide
PubChem CID14535901
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name2-chloro-N-(1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide
SMILESCC1(C)CCc2c(NC(=O)c3cccnc3Cl)cccc21
InChIInChI=1S/C17H17ClN2O/c1-17(2)9-8-11-13(17)6-3-7-14(11)20-16(21)12-5-4-10-19-15(12)18/h3-7,10H,8-9H2,1-2H3,(H,20,21)
InChIKeyJWAMPRHAFCNLIK-UHFFFAOYSA-N
XLogP4.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
N-[1-[2-(difluoromethyl)-3-pyridinyl]ethenyl]-1,1-dimethyl-2,3-dihydroinden-4-amine
CID 146384782
N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide
CID 60628052
2-chloro-N-(1,3-dioxoisoindol-4-yl)pyridine-3-carboxamide
CID 2428874
N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906
N-[3-bromo-2-(methoxymethyl)phenyl]-2-chloropyridine-3-carboxamide
CID 61215492
2-chloro-N-(2,2,4-trimethyl-3H-1-benzofuran-7-yl)pyridine-3-carboxamide
CID 3817967
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyridine-3-carboxamide
CID 60630965
2-chloro-N-(1-chloro-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide
CID 14535906
2-acetamido-N-(2-chloro-3-pyridinyl)benzamide
CID 13143772
1,1-dimethyl-2,3-dihydroindene-4-carboxylic acid
CID 600258

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide (CID 14535901) is 2-chloro-N-(1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide is CC1(C)CCc2c(NC(=O)c3cccnc3Cl)cccc21.
What is the InChIKey of 2-chloro-N-(1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide?
The InChIKey is JWAMPRHAFCNLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-17(2)9-8-11-13(17)6-3-7-14(11)20-16(21)12-5-4-10-19-15(12)18/h3-7,10H,8-9H2,1-2H3,(H,20,21).
What are the key properties of 2-chloro-N-(1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide?
2-chloro-N-(1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide has a molecular weight of 300.79 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 14535901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).