1-tert-butyl-3-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]urea

C19H23N3O — CID 54276660

IUPAC1-tert-butyl-3-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]urea
SMILESCc1cccc(C=Cc2cccc(NC(=O)NC(C)(C)C)c2)n1
InChIInChI=1S/C19H23N3O/c1-14-7-5-9-16(20-14)12-11-15-8-6-10-17(13-15)21-18(23)22-19(2,3)4/h5-13H,1-4H3,(H2,21,22,23)
InChIKeyRNWPNCVXHKPRMO-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.48
Rot. Bonds3

About 1-tert-butyl-3-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]urea

1-tert-butyl-3-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]urea (PubChem CID 54276660) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-tert-butyl-3-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]urea
PubChem CID54276660
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-tert-butyl-3-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]urea
SMILESCc1cccc(C=Cc2cccc(NC(=O)NC(C)(C)C)c2)n1
InChIInChI=1S/C19H23N3O/c1-14-7-5-9-16(20-14)12-11-15-8-6-10-17(13-15)21-18(23)22-19(2,3)4/h5-13H,1-4H3,(H2,21,22,23)
InChIKeyRNWPNCVXHKPRMO-UHFFFAOYSA-N
XLogP4.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-3-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]urea 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

thiophen-2-yl N-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]carbamate
CID 69157838
3-[2-(6-methyl-2-pyridinyl)ethenyl]benzamide
CID 69156491
2-methyl-6-[(Z)-2-phenylethenyl]pyridine
CID 6604016
3-[2-(6-methyl-2-pyridinyl)ethenyl]-N-(thiophen-2-ylmethyl)aniline;hydrochloride
CID 69156542
N-[3-(tert-butylcarbamoylamino)phenyl]-2-methylpropanamide
CID 78894521
2-[(E)-2-(3-ethynylphenyl)ethenyl]-6-methylpyridine
CID 18763112
N-(3-formylphenyl)-6-methylpyridine-2-carboxamide
CID 106912611
5-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-2-nitrophenol
CID 69157141
2-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-methylpyridine
CID 18763165
2-methyl-6-[(E)-2-(4-methylphenyl)ethenyl]pyridine
CID 18763193
ethyl 2-[3-(tert-butylcarbamoylamino)phenoxy]acetate
CID 60970804
2-[2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-6-methylpyridine
CID 54485530

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]urea?
The IUPAC name of 1-tert-butyl-3-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]urea (CID 54276660) is 1-tert-butyl-3-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]urea?
The canonical SMILES for 1-tert-butyl-3-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]urea is Cc1cccc(C=Cc2cccc(NC(=O)NC(C)(C)C)c2)n1.
What is the InChIKey of 1-tert-butyl-3-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]urea?
The InChIKey is RNWPNCVXHKPRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-7-5-9-16(20-14)12-11-15-8-6-10-17(13-15)21-18(23)22-19(2,3)4/h5-13H,1-4H3,(H2,21,22,23).
What are the key properties of 1-tert-butyl-3-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]urea?
1-tert-butyl-3-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]urea has a molecular weight of 309.41 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[3-[2-(6-methyl-2-pyridinyl)ethenyl]phenyl]urea is sourced from PubChem (CID 54276660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).