N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide

C19H15F2N3O2 — CID 113023123

IUPACN-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Nc3c(F)cccc3F)nc2)c1
InChIInChI=1S/C19H15F2N3O2/c1-26-14-5-2-4-12(10-14)19(25)23-13-8-9-17(22-11-13)24-18-15(20)6-3-7-16(18)21/h2-11H,1H3,(H,22,24)(H,23,25)
InChIKeyPNVYCBHWJLAWQT-UHFFFAOYSA-N
MW355.34 g/mol
LogP4.36
Rot. Bonds5

About N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide

N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide (PubChem CID 113023123) has the molecular formula C19H15F2N3O2 and a molecular weight of 355.34 g/mol. Its IUPAC name is N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide
PubChem CID113023123
Molecular FormulaC19H15F2N3O2
Molecular Weight355.34 g/mol
Exact Mass355.11
IUPAC NameN-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Nc3c(F)cccc3F)nc2)c1
InChIInChI=1S/C19H15F2N3O2/c1-26-14-5-2-4-12(10-14)19(25)23-13-8-9-17(22-11-13)24-18-15(20)6-3-7-16(18)21/h2-11H,1H3,(H,22,24)(H,23,25)
InChIKeyPNVYCBHWJLAWQT-UHFFFAOYSA-N
XLogP4.36
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017819
N-[6-(2,5-dichloroanilino)-3-pyridinyl]-3-methoxybenzamide
CID 113022275
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
3-bromo-N-[6-(3-methoxyanilino)-3-pyridinyl]benzamide
CID 113019395
N-[6-(2,5-dimethylanilino)-3-pyridinyl]-3-methoxybenzamide
CID 113016868
3-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide
CID 113037429
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide
CID 1452890
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3-methoxybenzamide
CID 113028185
N-[6-(cycloheptylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113014907
N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113009463
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-3-methoxybenzamide
CID 82022486
3-bromo-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019497

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide?
The IUPAC name of N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide (CID 113023123) is N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide.
What is the SMILES notation for N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide?
The canonical SMILES for N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(Nc3c(F)cccc3F)nc2)c1.
What is the InChIKey of N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide?
The InChIKey is PNVYCBHWJLAWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2/c1-26-14-5-2-4-12(10-14)19(25)23-13-8-9-17(22-11-13)24-18-15(20)6-3-7-16(18)21/h2-11H,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide?
N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide has a molecular weight of 355.34 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide is sourced from PubChem (CID 113023123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).