N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3,4-dimethylbenzamide

C17H21N3O — CID 47028147

IUPACN-[[2-(dimethylamino)-4-pyridinyl]methyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2ccnc(N(C)C)c2)cc1C
InChIInChI=1S/C17H21N3O/c1-12-5-6-15(9-13(12)2)17(21)19-11-14-7-8-18-16(10-14)20(3)4/h5-10H,11H2,1-4H3,(H,19,21)
InChIKeyZNZSJAIDGCVOPF-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.69
Rot. Bonds4

About N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3,4-dimethylbenzamide

N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3,4-dimethylbenzamide (PubChem CID 47028147) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-4-pyridinyl]methyl]-3,4-dimethylbenzamide
PubChem CID47028147
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[[2-(dimethylamino)-4-pyridinyl]methyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2ccnc(N(C)C)c2)cc1C
InChIInChI=1S/C17H21N3O/c1-12-5-6-15(9-13(12)2)17(21)19-11-14-7-8-18-16(10-14)20(3)4/h5-10H,11H2,1-4H3,(H,19,21)
InChIKeyZNZSJAIDGCVOPF-UHFFFAOYSA-N
XLogP2.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(diethylamino)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]benzamide
CID 86850789
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylmethoxybenzamide
CID 55637639
4-(difluoromethoxy)-N-[2-[[2-(dimethylamino)-4-pyridinyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 55637064
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 51082981
2-(dimethylamino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 84574435
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[[2-(dimethylamino)-4-pyridinyl]methyl]urea
CID 86994177
3-methoxy-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 23530638
2-bromo-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-4-fluorobenzamide
CID 47028145
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-fluoro-4-methylbenzamide
CID 122322557
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 78863513
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
CID 670710
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 47043891

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3,4-dimethylbenzamide (CID 47028147) is N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCc2ccnc(N(C)C)c2)cc1C.
What is the InChIKey of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3,4-dimethylbenzamide?
The InChIKey is ZNZSJAIDGCVOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-5-6-15(9-13(12)2)17(21)19-11-14-7-8-18-16(10-14)20(3)4/h5-10H,11H2,1-4H3,(H,19,21).
What are the key properties of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3,4-dimethylbenzamide?
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3,4-dimethylbenzamide has a molecular weight of 283.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 47028147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).