2,4-difluoro-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide

C19H20F2N4O2 — CID 30832263

IUPAC2,4-difluoro-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1F)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C19H20F2N4O2/c20-14-4-5-15(16(21)9-14)19(27)24-12-18(26)23-11-13-3-6-17(22-10-13)25-7-1-2-8-25/h3-6,9-10H,1-2,7-8,11-12H2,(H,23,26)(H,24,27)
InChIKeyBJQRWOUJDZYLPK-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.01
Rot. Bonds6

About 2,4-difluoro-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide

2,4-difluoro-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide (PubChem CID 30832263) has the molecular formula C19H20F2N4O2 and a molecular weight of 374.39 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide
PubChem CID30832263
Molecular FormulaC19H20F2N4O2
Molecular Weight374.39 g/mol
Exact Mass374.16
IUPAC Name2,4-difluoro-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1F)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C19H20F2N4O2/c20-14-4-5-15(16(21)9-14)19(27)24-12-18(26)23-11-13-3-6-17(22-10-13)25-7-1-2-8-25/h3-6,9-10H,1-2,7-8,11-12H2,(H,23,26)(H,24,27)
InChIKeyBJQRWOUJDZYLPK-UHFFFAOYSA-N
XLogP2.01
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide (CID 30832263) is 2,4-difluoro-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide is O=C(CNC(=O)c1ccc(F)cc1F)NCc1ccc(N2CCCC2)nc1.
What is the InChIKey of 2,4-difluoro-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide?
The InChIKey is BJQRWOUJDZYLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O2/c20-14-4-5-15(16(21)9-14)19(27)24-12-18(26)23-11-13-3-6-17(22-10-13)25-7-1-2-8-25/h3-6,9-10H,1-2,7-8,11-12H2,(H,23,26)(H,24,27).
What are the key properties of 2,4-difluoro-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide?
2,4-difluoro-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide has a molecular weight of 374.39 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]benzamide is sourced from PubChem (CID 30832263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).