4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide

C15H14ClN3O — CID 133468614

IUPAC4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C15H14ClN3O/c16-10-2-3-11-9(7-10)1-4-13(11)19-14-5-6-18-8-12(14)15(17)20/h2-3,5-8,13H,1,4H2,(H2,17,20)(H,18,19)
InChIKeyYGDARQFYSNUUEG-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.93
Rot. Bonds3

About 4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide

4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide (PubChem CID 133468614) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide
PubChem CID133468614
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C15H14ClN3O/c16-10-2-3-11-9(7-10)1-4-13(11)19-14-5-6-18-8-12(14)15(17)20/h2-3,5-8,13H,1,4H2,(H2,17,20)(H,18,19)
InChIKeyYGDARQFYSNUUEG-UHFFFAOYSA-N
XLogP2.93
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide (CID 133468614) is 4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide is NC(=O)c1cnccc1NC1CCc2cc(Cl)ccc21.
What is the InChIKey of 4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide?
The InChIKey is YGDARQFYSNUUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c16-10-2-3-11-9(7-10)1-4-13(11)19-14-5-6-18-8-12(14)15(17)20/h2-3,5-8,13H,1,4H2,(H2,17,20)(H,18,19).
What are the key properties of 4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide?
4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide has a molecular weight of 287.75 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 133468614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).