N-[2-ethoxy-5-[2-(propanoylamino)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzamide

C22H20F2N4O3 — CID 123562875

IUPACN-[2-ethoxy-5-[2-(propanoylamino)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzamide
SMILESCCOc1ncc(-c2ccnc(NC(=O)CC)c2)cc1NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C22H20F2N4O3/c1-3-20(29)28-19-10-13(7-8-25-19)14-9-18(22(26-12-14)31-4-2)27-21(30)16-6-5-15(23)11-17(16)24/h5-12H,3-4H2,1-2H3,(H,27,30)(H,25,28,29)
InChIKeyNDIZXPHGRJWOCU-UHFFFAOYSA-N
MW426.42 g/mol
LogP4.42
Rot. Bonds7

About N-[2-ethoxy-5-[2-(propanoylamino)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzamide

N-[2-ethoxy-5-[2-(propanoylamino)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzamide (PubChem CID 123562875) has the molecular formula C22H20F2N4O3 and a molecular weight of 426.42 g/mol. Its IUPAC name is N-[2-ethoxy-5-[2-(propanoylamino)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-ethoxy-5-[2-(propanoylamino)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzamide
PubChem CID123562875
Molecular FormulaC22H20F2N4O3
Molecular Weight426.42 g/mol
Exact Mass426.15
IUPAC NameN-[2-ethoxy-5-[2-(propanoylamino)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzamide
SMILESCCOc1ncc(-c2ccnc(NC(=O)CC)c2)cc1NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C22H20F2N4O3/c1-3-20(29)28-19-10-13(7-8-25-19)14-9-18(22(26-12-14)31-4-2)27-21(30)16-6-5-15(23)11-17(16)24/h5-12H,3-4H2,1-2H3,(H,27,30)(H,25,28,29)
InChIKeyNDIZXPHGRJWOCU-UHFFFAOYSA-N
XLogP4.42
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(2-ethoxy-3-pyridinyl)-5-fluorobenzamide
CID 43706604
2,4-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102821042
2-[(2,4-difluorobenzoyl)amino]-4-phenylbenzoic acid
CID 67343264
N-[4-(5-formyl-3-pyridinyl)-2-pyridinyl]propanamide
CID 166785712
6-[(2,4-difluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 22099949
2-ethoxy-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 2096181
N-[2-[(2,4-difluorobenzoyl)amino]-4-fluorophenyl]pyridine-2-carboxamide
CID 55834647
2,4-difluoro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8918311
N-(2-chloropyrimidin-4-yl)-2,4-difluorobenzamide
CID 116798586
N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]propanamide
CID 118560751
N-[4-[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]propanamide
CID 67073655
4-[(2,4-difluorobenzoyl)amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide
CID 69378981

Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-5-[2-(propanoylamino)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-ethoxy-5-[2-(propanoylamino)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzamide (CID 123562875) is N-[2-ethoxy-5-[2-(propanoylamino)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-ethoxy-5-[2-(propanoylamino)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-ethoxy-5-[2-(propanoylamino)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzamide is CCOc1ncc(-c2ccnc(NC(=O)CC)c2)cc1NC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[2-ethoxy-5-[2-(propanoylamino)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzamide?
The InChIKey is NDIZXPHGRJWOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O3/c1-3-20(29)28-19-10-13(7-8-25-19)14-9-18(22(26-12-14)31-4-2)27-21(30)16-6-5-15(23)11-17(16)24/h5-12H,3-4H2,1-2H3,(H,27,30)(H,25,28,29).
What are the key properties of N-[2-ethoxy-5-[2-(propanoylamino)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzamide?
N-[2-ethoxy-5-[2-(propanoylamino)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzamide has a molecular weight of 426.42 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-5-[2-(propanoylamino)-4-pyridinyl]-3-pyridinyl]-2,4-difluorobenzamide is sourced from PubChem (CID 123562875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).