3-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-5-(4-methyl-3-pyridinyl)benzamide

C21H19Cl2N3O — CID 146371044

IUPAC3-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-5-(4-methyl-3-pyridinyl)benzamide
SMILESCc1ccncc1-c1cc(CN)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C21H19Cl2N3O/c1-13-4-5-25-12-18(13)16-6-15(10-24)7-17(9-16)21(27)26-11-14-2-3-19(22)20(23)8-14/h2-9,12H,10-11,24H2,1H3,(H,26,27)
InChIKeyWFXKVKYEHVVEIH-UHFFFAOYSA-N
MW400.31 g/mol
LogP4.75
Rot. Bonds5

About 3-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-5-(4-methyl-3-pyridinyl)benzamide

3-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-5-(4-methyl-3-pyridinyl)benzamide (PubChem CID 146371044) has the molecular formula C21H19Cl2N3O and a molecular weight of 400.31 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-5-(4-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-5-(4-methyl-3-pyridinyl)benzamide
PubChem CID146371044
Molecular FormulaC21H19Cl2N3O
Molecular Weight400.31 g/mol
Exact Mass399.09
IUPAC Name3-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-5-(4-methyl-3-pyridinyl)benzamide
SMILESCc1ccncc1-c1cc(CN)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C21H19Cl2N3O/c1-13-4-5-25-12-18(13)16-6-15(10-24)7-17(9-16)21(27)26-11-14-2-3-19(22)20(23)8-14/h2-9,12H,10-11,24H2,1H3,(H,26,27)
InChIKeyWFXKVKYEHVVEIH-UHFFFAOYSA-N
XLogP4.75
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.31
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-5-(6-fluoro-2-methyl-3-pyridinyl)benzamide
CID 146370787
N-[(4-chloro-3-methylphenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(4-methyl-3-pyridinyl)benzamide
CID 146370928
3-(bromomethyl)-N-[(3,4-dichlorophenyl)methyl]-5-(2,4-difluoro-6-methylphenyl)benzamide
CID 146456239
N-[(3,4-dichlorophenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(2-methoxyphenyl)benzamide
CID 146370941
2,6-dichloro-4-[(3,4-dichlorophenyl)methylcarbamoyl]benzoic acid
CID 157035965
N-[(3,4-dichlorophenyl)methyl]-3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-(6-fluoro-2-methyl-3-pyridinyl)benzamide
CID 159580351
N-tert-butyl-3-(4-ethylphenyl)-5-(4-methyl-3-pyridinyl)benzamide
CID 138636702
3-(4-chloro-3-methylphenyl)-1-[3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-(4-methyl-3-pyridinyl)phenyl]propan-1-one
CID 158596323
N-[(3,4-dichlorophenyl)methyl]-3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-5-(2-methoxy-5-methylphenyl)benzamide
CID 146388353
[3-[[cyclopropyl-(4-methyl-2-pyridinyl)methyl]carbamoyl]-5-(4-methyl-3-pyridinyl)phenyl]methylcarbamic acid
CID 146371072
N-[(3,4-dichlorophenyl)methyl]-1H-imidazole-5-carboxamide
CID 141124421
4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62537954

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-5-(4-methyl-3-pyridinyl)benzamide?
The IUPAC name of 3-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-5-(4-methyl-3-pyridinyl)benzamide (CID 146371044) is 3-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-5-(4-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-5-(4-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 3-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-5-(4-methyl-3-pyridinyl)benzamide is Cc1ccncc1-c1cc(CN)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-5-(4-methyl-3-pyridinyl)benzamide?
The InChIKey is WFXKVKYEHVVEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O/c1-13-4-5-25-12-18(13)16-6-15(10-24)7-17(9-16)21(27)26-11-14-2-3-19(22)20(23)8-14/h2-9,12H,10-11,24H2,1H3,(H,26,27).
What are the key properties of 3-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-5-(4-methyl-3-pyridinyl)benzamide?
3-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-5-(4-methyl-3-pyridinyl)benzamide has a molecular weight of 400.31 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-5-(4-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 146371044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).