N,N-dimethyl-4-[6-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]benzamide

C20H20N4O — CID 142612695

IUPACN,N-dimethyl-4-[6-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]benzamide
SMILESCc1ncccc1Nc1ccc(-c2ccc(C(=O)N(C)C)cc2)cn1
InChIInChI=1S/C20H20N4O/c1-14-18(5-4-12-21-14)23-19-11-10-17(13-22-19)15-6-8-16(9-7-15)20(25)24(2)3/h4-13H,1-3H3,(H,22,23)
InChIKeyVXJLEPVGPBFOIK-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.90
Rot. Bonds4

About N,N-dimethyl-4-[6-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]benzamide

N,N-dimethyl-4-[6-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]benzamide (PubChem CID 142612695) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N,N-dimethyl-4-[6-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[6-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]benzamide
PubChem CID142612695
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN,N-dimethyl-4-[6-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]benzamide
SMILESCc1ncccc1Nc1ccc(-c2ccc(C(=O)N(C)C)cc2)cn1
InChIInChI=1S/C20H20N4O/c1-14-18(5-4-12-21-14)23-19-11-10-17(13-22-19)15-6-8-16(9-7-15)20(25)24(2)3/h4-13H,1-3H3,(H,22,23)
InChIKeyVXJLEPVGPBFOIK-UHFFFAOYSA-N
XLogP3.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-[(5-acetamido-3-pyridinyl)amino]-3-pyridinyl]-N,N-dimethylbenzamide
CID 142612561
6-(2,2-dimethylhydrazinyl)-N,N-dimethylpyridine-3-carboxamide
CID 83025620
4-[6-[[5-[(2-cyanoacetyl)amino]-3-pyridinyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide
CID 142612601
[3-[3-[[5-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]amino]-3-oxopropyl]phenyl]carbamic acid
CID 155225827
N-methyl-4-[6-(pyridin-3-ylamino)-3-pyridinyl]-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 142612463
4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid
CID 81243430
4-[6-[[5-[3-(3-acetamidophenyl)propanoylamino]-3-pyridinyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide
CID 175076884
N,N-dimethyl-4-[6-[[5-[2-oxo-3-[(1R)-1-phenylethyl]imidazolidin-1-yl]-3-pyridinyl]amino]-3-pyridinyl]benzamide
CID 142612626
N,N-dimethyl-4-(2-oxo-1H-pyrimidin-5-yl)benzamide
CID 53222392
tert-butyl N-[3-[[5-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]carbamoyl]phenyl]carbamate
CID 142612636
6-methyl-4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid
CID 81243431
methyl 6-(2-aminoanilino)pyridine-3-carboxylate
CID 118017531

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[6-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[6-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]benzamide (CID 142612695) is N,N-dimethyl-4-[6-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[6-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[6-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]benzamide is Cc1ncccc1Nc1ccc(-c2ccc(C(=O)N(C)C)cc2)cn1.
What is the InChIKey of N,N-dimethyl-4-[6-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]benzamide?
The InChIKey is VXJLEPVGPBFOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-18(5-4-12-21-14)23-19-11-10-17(13-22-19)15-6-8-16(9-7-15)20(25)24(2)3/h4-13H,1-3H3,(H,22,23).
What are the key properties of N,N-dimethyl-4-[6-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]benzamide?
N,N-dimethyl-4-[6-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]benzamide has a molecular weight of 332.41 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[6-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]benzamide is sourced from PubChem (CID 142612695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).