6-chloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide

C15H12ClF2N3O — CID 58440270

IUPAC6-chloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Cl)cc1NC1CCc2c(F)ccc(F)c21
InChIInChI=1S/C15H12ClF2N3O/c16-13-5-12(8(6-20-13)15(19)22)21-11-4-1-7-9(17)2-3-10(18)14(7)11/h2-3,5-6,11H,1,4H2,(H2,19,22)(H,20,21)
InChIKeyMVHYOUDXTJMDQU-UHFFFAOYSA-N
MW323.73 g/mol
LogP3.21
Rot. Bonds3

About 6-chloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide

6-chloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide (PubChem CID 58440270) has the molecular formula C15H12ClF2N3O and a molecular weight of 323.73 g/mol. Its IUPAC name is 6-chloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide
PubChem CID58440270
Molecular FormulaC15H12ClF2N3O
Molecular Weight323.73 g/mol
Exact Mass323.06
IUPAC Name6-chloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Cl)cc1NC1CCc2c(F)ccc(F)c21
InChIInChI=1S/C15H12ClF2N3O/c16-13-5-12(8(6-20-13)15(19)22)21-11-4-1-7-9(17)2-3-10(18)14(7)11/h2-3,5-6,11H,1,4H2,(H2,19,22)(H,20,21)
InChIKeyMVHYOUDXTJMDQU-UHFFFAOYSA-N
XLogP3.21
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.73
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide (CID 58440270) is 6-chloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide is NC(=O)c1cnc(Cl)cc1NC1CCc2c(F)ccc(F)c21.
What is the InChIKey of 6-chloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide?
The InChIKey is MVHYOUDXTJMDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N3O/c16-13-5-12(8(6-20-13)15(19)22)21-11-4-1-7-9(17)2-3-10(18)14(7)11/h2-3,5-6,11H,1,4H2,(H2,19,22)(H,20,21).
What are the key properties of 6-chloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide?
6-chloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide has a molecular weight of 323.73 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(4,7-difluoro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 58440270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).