N-(4,6-dimethyl-2-pyridinyl)-3-(propan-2-ylcarbamoylamino)benzamide

C18H22N4O2 — CID 13206616

IUPACN-(4,6-dimethyl-2-pyridinyl)-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCc1cc(C)nc(NC(=O)c2cccc(NC(=O)NC(C)C)c2)c1
InChIInChI=1S/C18H22N4O2/c1-11(2)19-18(24)21-15-7-5-6-14(10-15)17(23)22-16-9-12(3)8-13(4)20-16/h5-11H,1-4H3,(H2,19,21,24)(H,20,22,23)
InChIKeyWRBXYWMCUSUBFG-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.48
Rot. Bonds4

About N-(4,6-dimethyl-2-pyridinyl)-3-(propan-2-ylcarbamoylamino)benzamide

N-(4,6-dimethyl-2-pyridinyl)-3-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 13206616) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-3-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-3-(propan-2-ylcarbamoylamino)benzamide
PubChem CID13206616
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-3-(propan-2-ylcarbamoylamino)benzamide
SMILESCc1cc(C)nc(NC(=O)c2cccc(NC(=O)NC(C)C)c2)c1
InChIInChI=1S/C18H22N4O2/c1-11(2)19-18(24)21-15-7-5-6-14(10-15)17(23)22-16-9-12(3)8-13(4)20-16/h5-11H,1-4H3,(H2,19,21,24)(H,20,22,23)
InChIKeyWRBXYWMCUSUBFG-UHFFFAOYSA-N
XLogP3.48
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(4,6-dimethyl-2-pyridinyl)-3-(propan-2-ylcarbamoylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetamido-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 13177101
3,5-dimethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 31873928
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide
CID 38039799
3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197365
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55649936
N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 78869572
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55649885
3-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid
CID 119211691
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 86983303
N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55814774
3-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17197361

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-3-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-3-(propan-2-ylcarbamoylamino)benzamide (CID 13206616) is N-(4,6-dimethyl-2-pyridinyl)-3-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-3-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-3-(propan-2-ylcarbamoylamino)benzamide is Cc1cc(C)nc(NC(=O)c2cccc(NC(=O)NC(C)C)c2)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-3-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is WRBXYWMCUSUBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-11(2)19-18(24)21-15-7-5-6-14(10-15)17(23)22-16-9-12(3)8-13(4)20-16/h5-11H,1-4H3,(H2,19,21,24)(H,20,22,23).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-3-(propan-2-ylcarbamoylamino)benzamide?
N-(4,6-dimethyl-2-pyridinyl)-3-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 326.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-3-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 13206616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).