N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide

C22H20FN3O5 — CID 1449581

IUPACN-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)nc2)cc(OC)c1OC
InChIInChI=1S/C22H20FN3O5/c1-29-17-10-13(11-18(30-2)20(17)31-3)21(27)25-14-8-9-19(24-12-14)26-22(28)15-6-4-5-7-16(15)23/h4-12H,1-3H3,(H,25,27)(H,24,26,28)
InChIKeyDQUMPUUOBKKWDK-UHFFFAOYSA-N
MW425.42 g/mol
LogP3.75
Rot. Bonds7

About N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide

N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide (PubChem CID 1449581) has the molecular formula C22H20FN3O5 and a molecular weight of 425.42 g/mol. Its IUPAC name is N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
PubChem CID1449581
Molecular FormulaC22H20FN3O5
Molecular Weight425.42 g/mol
Exact Mass425.14
IUPAC NameN-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)nc2)cc(OC)c1OC
InChIInChI=1S/C22H20FN3O5/c1-29-17-10-13(11-18(30-2)20(17)31-3)21(27)25-14-8-9-19(24-12-14)26-22(28)15-6-4-5-7-16(15)23/h4-12H,1-3H3,(H,25,27)(H,24,26,28)
InChIKeyDQUMPUUOBKKWDK-UHFFFAOYSA-N
XLogP3.75
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019493
3-fluoro-N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]benzamide
CID 113036517
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2-methoxybenzamide
CID 113026998
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
methyl 2-[[5-[(2-fluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113020612
N-[5-(tert-butylamino)-2-pyridinyl]-2-fluorobenzamide
CID 113029972
3,4,5-trimethoxy-N-[6-(pentylamino)-3-pyridinyl]benzamide
CID 113015219
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113020547
2-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 7741659
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113028190
N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]thiophene-2-carboxamide
CID 1449346

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide (CID 1449581) is N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3F)nc2)cc(OC)c1OC.
What is the InChIKey of N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide?
The InChIKey is DQUMPUUOBKKWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O5/c1-29-17-10-13(11-18(30-2)20(17)31-3)21(27)25-14-8-9-19(24-12-14)26-22(28)15-6-4-5-7-16(15)23/h4-12H,1-3H3,(H,25,27)(H,24,26,28).
What are the key properties of N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide?
N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide has a molecular weight of 425.42 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 1449581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).