N,N-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide

C16H19N3O — CID 104756583

IUPACN,N-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
SMILESCc1ccc(CNc2cccc(C(=O)N(C)C)c2)cn1
InChIInChI=1S/C16H19N3O/c1-12-7-8-13(10-17-12)11-18-15-6-4-5-14(9-15)16(20)19(2)3/h4-10,18H,11H2,1-3H3
InChIKeyLJGBUOBJWOSGTI-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.70
Rot. Bonds4

About N,N-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide

N,N-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide (PubChem CID 104756583) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N,N-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
PubChem CID104756583
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN,N-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
SMILESCc1ccc(CNc2cccc(C(=O)N(C)C)c2)cn1
InChIInChI=1S/C16H19N3O/c1-12-7-8-13(10-17-12)11-18-15-6-4-5-14(9-15)16(20)19(2)3/h4-10,18H,11H2,1-3H3
InChIKeyLJGBUOBJWOSGTI-UHFFFAOYSA-N
XLogP2.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104756566
N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43725385
3-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
CID 107685516
2-methyl-N-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]propanamide
CID 104749408
N,N-dimethyl-3-(pyridin-2-ylmethylamino)benzamide
CID 43725442
3-[(2,5-dimethylphenyl)methylamino]-N,N-dimethylbenzamide
CID 60728339
3-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
CID 102833214
N-[4-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
CID 104749173
methyl 3-[3-(6-methyl-3-pyridinyl)propylamino]benzoate
CID 91649513
3-N,3-N-dimethyl-5-(4-methylphenyl)-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,3-dicarboxamide
CID 58188040
N-[(6-methyl-3-pyridinyl)methyl]-3-propoxyaniline
CID 104749489
N,N-dimethyl-3-[(1-methylpyrrol-2-yl)methylamino]benzamide
CID 55039467

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide?
The IUPAC name of N,N-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide (CID 104756583) is N,N-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide is Cc1ccc(CNc2cccc(C(=O)N(C)C)c2)cn1.
What is the InChIKey of N,N-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide?
The InChIKey is LJGBUOBJWOSGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-7-8-13(10-17-12)11-18-15-6-4-5-14(9-15)16(20)19(2)3/h4-10,18H,11H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide?
N,N-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide has a molecular weight of 269.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide is sourced from PubChem (CID 104756583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).