4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzamide

C19H14F2N4O2 — CID 5330817

IUPAC4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1
InChIInChI=1S/C19H14F2N4O2/c20-13-2-1-3-14(21)16(13)17(26)12-8-9-15(25-18(12)22)24-11-6-4-10(5-7-11)19(23)27/h1-9H,(H2,23,27)(H3,22,24,25)
InChIKeyUHDBTECGKHARHG-UHFFFAOYSA-N
MW368.34 g/mol
LogP3.02
Rot. Bonds5

About 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzamide

4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzamide (PubChem CID 5330817) has the molecular formula C19H14F2N4O2 and a molecular weight of 368.34 g/mol. Its IUPAC name is 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzamide.

Molecular Properties

Compound Name4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzamide
PubChem CID5330817
Molecular FormulaC19H14F2N4O2
Molecular Weight368.34 g/mol
Exact Mass368.11
IUPAC Name4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1
InChIInChI=1S/C19H14F2N4O2/c20-13-2-1-3-14(21)16(13)17(26)12-8-9-15(25-18(12)22)24-11-6-4-10(5-7-11)19(23)27/h1-9H,(H2,23,27)(H3,22,24,25)
InChIKeyUHDBTECGKHARHG-UHFFFAOYSA-N
XLogP3.02
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzamide?
The IUPAC name of 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzamide (CID 5330817) is 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzamide.
What is the SMILES notation for 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzamide?
The canonical SMILES for 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzamide is NC(=O)c1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1.
What is the InChIKey of 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzamide?
The InChIKey is UHDBTECGKHARHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O2/c20-13-2-1-3-14(21)16(13)17(26)12-8-9-15(25-18(12)22)24-11-6-4-10(5-7-11)19(23)27/h1-9H,(H2,23,27)(H3,22,24,25).
What are the key properties of 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzamide?
4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzamide has a molecular weight of 368.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-amino-5-(2,6-difluorobenzoyl)-2-pyridinyl]amino]benzamide is sourced from PubChem (CID 5330817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).