N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide

C16H17N3O2 — CID 46415352

IUPACN-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(CNC(=O)c2ccccn2)c1
InChIInChI=1S/C16H17N3O2/c1-19(2)16(21)13-7-5-6-12(10-13)11-18-15(20)14-8-3-4-9-17-14/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyZSVUAXGZOQAPCT-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.71
Rot. Bonds4

About N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide

N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 46415352) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
PubChem CID46415352
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(CNC(=O)c2ccccn2)c1
InChIInChI=1S/C16H17N3O2/c1-19(2)16(21)13-7-5-6-12(10-13)11-18-15(20)14-8-3-4-9-17-14/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyZSVUAXGZOQAPCT-UHFFFAOYSA-N
XLogP1.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-acetamidophenyl)methyl]pyridine-2-carboxamide
CID 46477958
3,4-dichloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 46424594
N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide
CID 46424485
N,N-dimethyl-3-(methylaminomethyl)benzamide
CID 83814364
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-ethoxybenzamide
CID 46415447
N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 47160867
3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 46424487
N-[(3,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 47024016
N-[[3-(pyridine-2-carbonylamino)phenyl]methyl]thiadiazole-4-carboxamide
CID 166190967
3-[[(4-butoxybenzoyl)amino]methyl]-N,N-dimethylbenzamide
CID 46415615
N-[3-(dimethylcarbamoyl)-5-[[(4-ethylphenyl)methylamino]methyl]phenyl]pyridine-2-carboxamide
CID 42440808
5-chloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 59661959

Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide (CID 46415352) is N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide is CN(C)C(=O)c1cccc(CNC(=O)c2ccccn2)c1.
What is the InChIKey of N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is ZSVUAXGZOQAPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-19(2)16(21)13-7-5-6-12(10-13)11-18-15(20)14-8-3-4-9-17-14/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide?
N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 46415352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).