6-[(2-ethylphenyl)methylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide

C18H22N4O2 — CID 75376652

IUPAC6-[(2-ethylphenyl)methylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide
SMILESCCc1ccccc1CNC(=O)Nc1cccc(C(=O)N(C)C)n1
InChIInChI=1S/C18H22N4O2/c1-4-13-8-5-6-9-14(13)12-19-18(24)21-16-11-7-10-15(20-16)17(23)22(2)3/h5-11H,4,12H2,1-3H3,(H2,19,20,21,24)
InChIKeyAJJPDHGQIAGVSG-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.67
Rot. Bonds5

About 6-[(2-ethylphenyl)methylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide

6-[(2-ethylphenyl)methylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 75376652) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-[(2-ethylphenyl)methylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(2-ethylphenyl)methylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide
PubChem CID75376652
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name6-[(2-ethylphenyl)methylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide
SMILESCCc1ccccc1CNC(=O)Nc1cccc(C(=O)N(C)C)n1
InChIInChI=1S/C18H22N4O2/c1-4-13-8-5-6-9-14(13)12-19-18(24)21-16-11-7-10-15(20-16)17(23)22(2)3/h5-11H,4,12H2,1-3H3,(H2,19,20,21,24)
InChIKeyAJJPDHGQIAGVSG-UHFFFAOYSA-N
XLogP2.67
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[(2-ethylphenyl)methylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethylphenyl)methylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 6-[(2-ethylphenyl)methylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide (CID 75376652) is 6-[(2-ethylphenyl)methylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 6-[(2-ethylphenyl)methylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 6-[(2-ethylphenyl)methylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide is CCc1ccccc1CNC(=O)Nc1cccc(C(=O)N(C)C)n1.
What is the InChIKey of 6-[(2-ethylphenyl)methylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is AJJPDHGQIAGVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-4-13-8-5-6-9-14(13)12-19-18(24)21-16-11-7-10-15(20-16)17(23)22(2)3/h5-11H,4,12H2,1-3H3,(H2,19,20,21,24).
What are the key properties of 6-[(2-ethylphenyl)methylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide?
6-[(2-ethylphenyl)methylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethylphenyl)methylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 75376652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).