2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(2-oxo-1,3-dihydroindol-5-yl)pyridine-3-carboxamide

C22H17Cl2FN4O2 — CID 66550333

IUPAC2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(2-oxo-1,3-dihydroindol-5-yl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc3c(c2)CC(=O)N3)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C22H17Cl2FN4O2/c1-10(19-15(23)3-4-16(25)20(19)24)28-22(31)14-7-13(9-27-21(14)26)11-2-5-17-12(6-11)8-18(30)29-17/h2-7,9-10H,8H2,1H3,(H2,26,27)(H,28,31)(H,29,30)
InChIKeyYXLSVZWTQLJCDU-UHFFFAOYSA-N
MW459.31 g/mol
LogP4.76
Rot. Bonds4

About 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(2-oxo-1,3-dihydroindol-5-yl)pyridine-3-carboxamide

2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(2-oxo-1,3-dihydroindol-5-yl)pyridine-3-carboxamide (PubChem CID 66550333) has the molecular formula C22H17Cl2FN4O2 and a molecular weight of 459.31 g/mol. Its IUPAC name is 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(2-oxo-1,3-dihydroindol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(2-oxo-1,3-dihydroindol-5-yl)pyridine-3-carboxamide
PubChem CID66550333
Molecular FormulaC22H17Cl2FN4O2
Molecular Weight459.31 g/mol
Exact Mass458.07
IUPAC Name2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(2-oxo-1,3-dihydroindol-5-yl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc3c(c2)CC(=O)N3)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C22H17Cl2FN4O2/c1-10(19-15(23)3-4-16(25)20(19)24)28-22(31)14-7-13(9-27-21(14)26)11-2-5-17-12(6-11)8-18(30)29-17/h2-7,9-10H,8H2,1H3,(H2,26,27)(H,28,31)(H,29,30)
InChIKeyYXLSVZWTQLJCDU-UHFFFAOYSA-N
XLogP4.76
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.31
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(2-oxo-1,3-dihydroindol-5-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(2-oxo-1,3-dihydroindol-5-yl)pyridine-3-carboxamide (CID 66550333) is 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(2-oxo-1,3-dihydroindol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(2-oxo-1,3-dihydroindol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(2-oxo-1,3-dihydroindol-5-yl)pyridine-3-carboxamide is CC(NC(=O)c1cc(-c2ccc3c(c2)CC(=O)N3)cnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(2-oxo-1,3-dihydroindol-5-yl)pyridine-3-carboxamide?
The InChIKey is YXLSVZWTQLJCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2FN4O2/c1-10(19-15(23)3-4-16(25)20(19)24)28-22(31)14-7-13(9-27-21(14)26)11-2-5-17-12(6-11)8-18(30)29-17/h2-7,9-10H,8H2,1H3,(H2,26,27)(H,28,31)(H,29,30).
What are the key properties of 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(2-oxo-1,3-dihydroindol-5-yl)pyridine-3-carboxamide?
2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(2-oxo-1,3-dihydroindol-5-yl)pyridine-3-carboxamide has a molecular weight of 459.31 g/mol, XLogP of 4.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(2-oxo-1,3-dihydroindol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 66550333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).