N-[2,5-diethoxy-4-[(2-fluorobenzoyl)amino]phenyl]pyridine-4-carboxamide

C23H22FN3O4 — CID 1172430

IUPACN-[2,5-diethoxy-4-[(2-fluorobenzoyl)amino]phenyl]pyridine-4-carboxamide
SMILESCCOc1cc(NC(=O)c2ccccc2F)c(OCC)cc1NC(=O)c1ccncc1
InChIInChI=1S/C23H22FN3O4/c1-3-30-20-14-19(27-23(29)16-7-5-6-8-17(16)24)21(31-4-2)13-18(20)26-22(28)15-9-11-25-12-10-15/h5-14H,3-4H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyWBIGNIWWEQSYTH-UHFFFAOYSA-N
MW423.44 g/mol
LogP4.52
Rot. Bonds8

About N-[2,5-diethoxy-4-[(2-fluorobenzoyl)amino]phenyl]pyridine-4-carboxamide

N-[2,5-diethoxy-4-[(2-fluorobenzoyl)amino]phenyl]pyridine-4-carboxamide (PubChem CID 1172430) has the molecular formula C23H22FN3O4 and a molecular weight of 423.44 g/mol. Its IUPAC name is N-[2,5-diethoxy-4-[(2-fluorobenzoyl)amino]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2,5-diethoxy-4-[(2-fluorobenzoyl)amino]phenyl]pyridine-4-carboxamide
PubChem CID1172430
Molecular FormulaC23H22FN3O4
Molecular Weight423.44 g/mol
Exact Mass423.16
IUPAC NameN-[2,5-diethoxy-4-[(2-fluorobenzoyl)amino]phenyl]pyridine-4-carboxamide
SMILESCCOc1cc(NC(=O)c2ccccc2F)c(OCC)cc1NC(=O)c1ccncc1
InChIInChI=1S/C23H22FN3O4/c1-3-30-20-14-19(27-23(29)16-7-5-6-8-17(16)24)21(31-4-2)13-18(20)26-22(28)15-9-11-25-12-10-15/h5-14H,3-4H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyWBIGNIWWEQSYTH-UHFFFAOYSA-N
XLogP4.52
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-(4-benzamido-2,5-diethoxyphenyl)-2-methylbenzamide
CID 1051986
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 2439401
2-ethoxy-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 2096181
N-(4-benzamido-2,5-diethoxyphenyl)-2-chloro-4-fluorobenzamide
CID 2103386
2-ethoxy-N-(2-fluorophenyl)benzamide
CID 773674
N-(4-benzamido-2,5-diethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 60594400
4-N-(2-ethoxyphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092650
N'-(2-fluorobenzoyl)pyridine-4-carbohydrazide
CID 959956
N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265923
N-(2-ethoxyphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide
CID 109177245
N-(4-benzamido-2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
CID 46686426

Frequently Asked Questions

What is the IUPAC name of N-[2,5-diethoxy-4-[(2-fluorobenzoyl)amino]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[2,5-diethoxy-4-[(2-fluorobenzoyl)amino]phenyl]pyridine-4-carboxamide (CID 1172430) is N-[2,5-diethoxy-4-[(2-fluorobenzoyl)amino]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2,5-diethoxy-4-[(2-fluorobenzoyl)amino]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2,5-diethoxy-4-[(2-fluorobenzoyl)amino]phenyl]pyridine-4-carboxamide is CCOc1cc(NC(=O)c2ccccc2F)c(OCC)cc1NC(=O)c1ccncc1.
What is the InChIKey of N-[2,5-diethoxy-4-[(2-fluorobenzoyl)amino]phenyl]pyridine-4-carboxamide?
The InChIKey is WBIGNIWWEQSYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O4/c1-3-30-20-14-19(27-23(29)16-7-5-6-8-17(16)24)21(31-4-2)13-18(20)26-22(28)15-9-11-25-12-10-15/h5-14H,3-4H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-[2,5-diethoxy-4-[(2-fluorobenzoyl)amino]phenyl]pyridine-4-carboxamide?
N-[2,5-diethoxy-4-[(2-fluorobenzoyl)amino]phenyl]pyridine-4-carboxamide has a molecular weight of 423.44 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diethoxy-4-[(2-fluorobenzoyl)amino]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 1172430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).