N-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]-2,4-difluorobenzamide

C20H16F2N4O2 — CID 118302635

IUPACN-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]-2,4-difluorobenzamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(NC(=O)c3ccc(F)cc3F)c2)ccn1
InChIInChI=1S/C20H16F2N4O2/c1-11-18(26-20(28)16-4-3-15(21)9-17(16)22)7-14(10-24-11)13-5-6-23-19(8-13)25-12(2)27/h3-10H,1-2H3,(H,26,28)(H,23,25,27)
InChIKeyLRZRZXXZGMSBEJ-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.94
Rot. Bonds4

About N-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]-2,4-difluorobenzamide

N-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]-2,4-difluorobenzamide (PubChem CID 118302635) has the molecular formula C20H16F2N4O2 and a molecular weight of 382.37 g/mol. Its IUPAC name is N-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]-2,4-difluorobenzamide
PubChem CID118302635
Molecular FormulaC20H16F2N4O2
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC NameN-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]-2,4-difluorobenzamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(NC(=O)c3ccc(F)cc3F)c2)ccn1
InChIInChI=1S/C20H16F2N4O2/c1-11-18(26-20(28)16-4-3-15(21)9-17(16)22)7-14(10-24-11)13-5-6-23-19(8-13)25-12(2)27/h3-10H,1-2H3,(H,26,28)(H,23,25,27)
InChIKeyLRZRZXXZGMSBEJ-UHFFFAOYSA-N
XLogP3.94
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]-2,4-difluorobenzamide?
The IUPAC name of N-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]-2,4-difluorobenzamide (CID 118302635) is N-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]-2,4-difluorobenzamide is CC(=O)Nc1cc(-c2cnc(C)c(NC(=O)c3ccc(F)cc3F)c2)ccn1.
What is the InChIKey of N-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]-2,4-difluorobenzamide?
The InChIKey is LRZRZXXZGMSBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2/c1-11-18(26-20(28)16-4-3-15(21)9-17(16)22)7-14(10-24-11)13-5-6-23-19(8-13)25-12(2)27/h3-10H,1-2H3,(H,26,28)(H,23,25,27).
What are the key properties of N-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]-2,4-difluorobenzamide?
N-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]-2,4-difluorobenzamide has a molecular weight of 382.37 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl]-2,4-difluorobenzamide is sourced from PubChem (CID 118302635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).