6-(aminomethyl)-N-[4-(2,4-dichlorophenoxy)-3-fluorophenyl]-2-methylpyridine-3-carboxamide

C20H16Cl2FN3O2 — CID 86814397

IUPAC6-(aminomethyl)-N-[4-(2,4-dichlorophenoxy)-3-fluorophenyl]-2-methylpyridine-3-carboxamide
SMILESCc1nc(CN)ccc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1
InChIInChI=1S/C20H16Cl2FN3O2/c1-11-15(5-3-14(10-24)25-11)20(27)26-13-4-7-19(17(23)9-13)28-18-6-2-12(21)8-16(18)22/h2-9H,10,24H2,1H3,(H,26,27)
InChIKeyVYAGOXAOWFROBW-UHFFFAOYSA-N
MW420.27 g/mol
LogP5.34
Rot. Bonds5

About 6-(aminomethyl)-N-[4-(2,4-dichlorophenoxy)-3-fluorophenyl]-2-methylpyridine-3-carboxamide

6-(aminomethyl)-N-[4-(2,4-dichlorophenoxy)-3-fluorophenyl]-2-methylpyridine-3-carboxamide (PubChem CID 86814397) has the molecular formula C20H16Cl2FN3O2 and a molecular weight of 420.27 g/mol. Its IUPAC name is 6-(aminomethyl)-N-[4-(2,4-dichlorophenoxy)-3-fluorophenyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(aminomethyl)-N-[4-(2,4-dichlorophenoxy)-3-fluorophenyl]-2-methylpyridine-3-carboxamide
PubChem CID86814397
Molecular FormulaC20H16Cl2FN3O2
Molecular Weight420.27 g/mol
Exact Mass419.06
IUPAC Name6-(aminomethyl)-N-[4-(2,4-dichlorophenoxy)-3-fluorophenyl]-2-methylpyridine-3-carboxamide
SMILESCc1nc(CN)ccc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1
InChIInChI=1S/C20H16Cl2FN3O2/c1-11-15(5-3-14(10-24)25-11)20(27)26-13-4-7-19(17(23)9-13)28-18-6-2-12(21)8-16(18)22/h2-9H,10,24H2,1H3,(H,26,27)
InChIKeyVYAGOXAOWFROBW-UHFFFAOYSA-N
XLogP5.34
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.27
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(aminomethyl)-N-[4-(2,4-dichlorophenoxy)-3-fluorophenyl]-2-methylpyridine-3-carboxamide;hydrochloride
CID 86814396
N-[4-(2-fluorophenoxy)phenyl]-6-(methoxymethyl)-2-methylpyridine-3-carboxamide
CID 151433060
2,5-dichloro-N-(3-fluoro-4-methoxyphenyl)-4-methoxybenzamide
CID 167851526
[4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine
CID 28966222
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
5-chloro-2-fluoro-N-(4-methoxy-3-methylphenyl)benzamide
CID 61073474
N-[4-(1-aminoethyl)phenyl]-2,4-dichlorobenzamide
CID 43321115
N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-6-(fluoromethyl)-2-methylpyridine-3-carboxamide
CID 70953905
2-bromo-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 103763233
2-(aminomethyl)-N-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66377615
N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide
CID 114027991
2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 78882498

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-[4-(2,4-dichlorophenoxy)-3-fluorophenyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 6-(aminomethyl)-N-[4-(2,4-dichlorophenoxy)-3-fluorophenyl]-2-methylpyridine-3-carboxamide (CID 86814397) is 6-(aminomethyl)-N-[4-(2,4-dichlorophenoxy)-3-fluorophenyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-(aminomethyl)-N-[4-(2,4-dichlorophenoxy)-3-fluorophenyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 6-(aminomethyl)-N-[4-(2,4-dichlorophenoxy)-3-fluorophenyl]-2-methylpyridine-3-carboxamide is Cc1nc(CN)ccc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1.
What is the InChIKey of 6-(aminomethyl)-N-[4-(2,4-dichlorophenoxy)-3-fluorophenyl]-2-methylpyridine-3-carboxamide?
The InChIKey is VYAGOXAOWFROBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2FN3O2/c1-11-15(5-3-14(10-24)25-11)20(27)26-13-4-7-19(17(23)9-13)28-18-6-2-12(21)8-16(18)22/h2-9H,10,24H2,1H3,(H,26,27).
What are the key properties of 6-(aminomethyl)-N-[4-(2,4-dichlorophenoxy)-3-fluorophenyl]-2-methylpyridine-3-carboxamide?
6-(aminomethyl)-N-[4-(2,4-dichlorophenoxy)-3-fluorophenyl]-2-methylpyridine-3-carboxamide has a molecular weight of 420.27 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-[4-(2,4-dichlorophenoxy)-3-fluorophenyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 86814397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).