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

C20H16F2N4O3 — CID 118249113

IUPACN-[5-(2-acetamido-4-pyridinyl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzamide
SMILESCOc1ncc(-c2ccnc(NC(C)=O)c2)cc1NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C20H16F2N4O3/c1-11(27)25-18-8-12(5-6-23-18)13-7-17(20(29-2)24-10-13)26-19(28)15-4-3-14(21)9-16(15)22/h3-10H,1-2H3,(H,26,28)(H,23,25,27)
InChIKeyGBTRCXCBODGJKY-UHFFFAOYSA-N
MW398.37 g/mol
LogP3.64
Rot. Bonds5

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

N-[5-(2-acetamido-4-pyridinyl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzamide (PubChem CID 118249113) has the molecular formula C20H16F2N4O3 and a molecular weight of 398.37 g/mol. Its IUPAC name is N-[5-(2-acetamido-4-pyridinyl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(2-acetamido-4-pyridinyl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzamide
PubChem CID118249113
Molecular FormulaC20H16F2N4O3
Molecular Weight398.37 g/mol
Exact Mass398.12
IUPAC NameN-[5-(2-acetamido-4-pyridinyl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzamide
SMILESCOc1ncc(-c2ccnc(NC(C)=O)c2)cc1NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C20H16F2N4O3/c1-11(27)25-18-8-12(5-6-23-18)13-7-17(20(29-2)24-10-13)26-19(28)15-4-3-14(21)9-16(15)22/h3-10H,1-2H3,(H,26,28)(H,23,25,27)
InChIKeyGBTRCXCBODGJKY-UHFFFAOYSA-N
XLogP3.64
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-acetamido-4-pyridinyl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzamide?
The IUPAC name of N-[5-(2-acetamido-4-pyridinyl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzamide (CID 118249113) is N-[5-(2-acetamido-4-pyridinyl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[5-(2-acetamido-4-pyridinyl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[5-(2-acetamido-4-pyridinyl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzamide is COc1ncc(-c2ccnc(NC(C)=O)c2)cc1NC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[5-(2-acetamido-4-pyridinyl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzamide?
The InChIKey is GBTRCXCBODGJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O3/c1-11(27)25-18-8-12(5-6-23-18)13-7-17(20(29-2)24-10-13)26-19(28)15-4-3-14(21)9-16(15)22/h3-10H,1-2H3,(H,26,28)(H,23,25,27).
What are the key properties of N-[5-(2-acetamido-4-pyridinyl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzamide?
N-[5-(2-acetamido-4-pyridinyl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzamide has a molecular weight of 398.37 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-acetamido-4-pyridinyl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzamide is sourced from PubChem (CID 118249113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).