3-[4-(aminomethyl)-2-pyridinyl]-N-(5-chloro-2-methylphenyl)benzamide

C20H18ClN3O — CID 122516199

IUPAC3-[4-(aminomethyl)-2-pyridinyl]-N-(5-chloro-2-methylphenyl)benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cccc(-c2cc(CN)ccn2)c1
InChIInChI=1S/C20H18ClN3O/c1-13-5-6-17(21)11-18(13)24-20(25)16-4-2-3-15(10-16)19-9-14(12-22)7-8-23-19/h2-11H,12,22H2,1H3,(H,24,25)
InChIKeyFJYDBKYVCJLPTH-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.42
Rot. Bonds4

About 3-[4-(aminomethyl)-2-pyridinyl]-N-(5-chloro-2-methylphenyl)benzamide

3-[4-(aminomethyl)-2-pyridinyl]-N-(5-chloro-2-methylphenyl)benzamide (PubChem CID 122516199) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-2-pyridinyl]-N-(5-chloro-2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[4-(aminomethyl)-2-pyridinyl]-N-(5-chloro-2-methylphenyl)benzamide
PubChem CID122516199
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name3-[4-(aminomethyl)-2-pyridinyl]-N-(5-chloro-2-methylphenyl)benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cccc(-c2cc(CN)ccn2)c1
InChIInChI=1S/C20H18ClN3O/c1-13-5-6-17(21)11-18(13)24-20(25)16-4-2-3-15(10-16)19-9-14(12-22)7-8-23-19/h2-11H,12,22H2,1H3,(H,24,25)
InChIKeyFJYDBKYVCJLPTH-UHFFFAOYSA-N
XLogP4.42
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(4-chloro-2-methylphenyl)benzamide
CID 82546496
N-(5-chloro-2-methylphenyl)-3-(furan-2-yl)benzamide
CID 168527887
N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530
N-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide
CID 62104316
N-(5-chloro-2-methylphenyl)-3-(propanoylamino)benzamide
CID 17309672
N-(5-chloro-2-methylphenyl)-3-cyanobenzamide
CID 7719573
1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050783
3-chloro-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 5211673
2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 114325635
4-N-(5-chloro-2-methylphenyl)-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078715
N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666
2-N-(5-chloro-2-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085897

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-2-pyridinyl]-N-(5-chloro-2-methylphenyl)benzamide?
The IUPAC name of 3-[4-(aminomethyl)-2-pyridinyl]-N-(5-chloro-2-methylphenyl)benzamide (CID 122516199) is 3-[4-(aminomethyl)-2-pyridinyl]-N-(5-chloro-2-methylphenyl)benzamide.
What is the SMILES notation for 3-[4-(aminomethyl)-2-pyridinyl]-N-(5-chloro-2-methylphenyl)benzamide?
The canonical SMILES for 3-[4-(aminomethyl)-2-pyridinyl]-N-(5-chloro-2-methylphenyl)benzamide is Cc1ccc(Cl)cc1NC(=O)c1cccc(-c2cc(CN)ccn2)c1.
What is the InChIKey of 3-[4-(aminomethyl)-2-pyridinyl]-N-(5-chloro-2-methylphenyl)benzamide?
The InChIKey is FJYDBKYVCJLPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-13-5-6-17(21)11-18(13)24-20(25)16-4-2-3-15(10-16)19-9-14(12-22)7-8-23-19/h2-11H,12,22H2,1H3,(H,24,25).
What are the key properties of 3-[4-(aminomethyl)-2-pyridinyl]-N-(5-chloro-2-methylphenyl)benzamide?
3-[4-(aminomethyl)-2-pyridinyl]-N-(5-chloro-2-methylphenyl)benzamide has a molecular weight of 351.84 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-2-pyridinyl]-N-(5-chloro-2-methylphenyl)benzamide is sourced from PubChem (CID 122516199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).