4-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N,N-bis(prop-2-enyl)benzamide

C21H24N4O2 — CID 47493098

IUPAC4-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2ccccn2)cc1
InChIInChI=1S/C21H24N4O2/c1-4-14-25(15-5-2)20(26)17-9-11-18(12-10-17)23-21(27)24(3)16-19-8-6-7-13-22-19/h4-13H,1-2,14-16H2,3H3,(H,23,27)
InChIKeyRAHPHEASPKPPOL-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.56
Rot. Bonds8

About 4-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N,N-bis(prop-2-enyl)benzamide

4-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N,N-bis(prop-2-enyl)benzamide (PubChem CID 47493098) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N,N-bis(prop-2-enyl)benzamide.

Molecular Properties

Compound Name4-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N,N-bis(prop-2-enyl)benzamide
PubChem CID47493098
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2ccccn2)cc1
InChIInChI=1S/C21H24N4O2/c1-4-14-25(15-5-2)20(26)17-9-11-18(12-10-17)23-21(27)24(3)16-19-8-6-7-13-22-19/h4-13H,1-2,14-16H2,3H3,(H,23,27)
InChIKeyRAHPHEASPKPPOL-UHFFFAOYSA-N
XLogP3.56
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47393550
3-[[4-[bis(prop-2-enyl)carbamoyl]phenyl]carbamoyl-methylamino]propanoic acid
CID 122077697
1-methyl-1-(pyridin-2-ylmethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 47490267
3-[[4-[bis(prop-2-enyl)carbamoyl]phenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122077702
3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 61346260
1-methyl-3-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-1-(pyridin-2-ylmethyl)urea
CID 47489615
3-[4-[2-(diethylamino)ethyl]phenyl]-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 91652991
4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]benzamide
CID 86870098
4-amino-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43564701
3-(2,6-diethylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47489186
(E)-4-oxo-4-[prop-2-enyl(pyridin-2-ylmethyl)amino]but-2-enoic acid
CID 39349109
3-methyl-2-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223176

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N,N-bis(prop-2-enyl)benzamide?
The IUPAC name of 4-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N,N-bis(prop-2-enyl)benzamide (CID 47493098) is 4-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N,N-bis(prop-2-enyl)benzamide.
What is the SMILES notation for 4-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N,N-bis(prop-2-enyl)benzamide?
The canonical SMILES for 4-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N,N-bis(prop-2-enyl)benzamide is C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2ccccn2)cc1.
What is the InChIKey of 4-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N,N-bis(prop-2-enyl)benzamide?
The InChIKey is RAHPHEASPKPPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-4-14-25(15-5-2)20(26)17-9-11-18(12-10-17)23-21(27)24(3)16-19-8-6-7-13-22-19/h4-13H,1-2,14-16H2,3H3,(H,23,27).
What are the key properties of 4-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N,N-bis(prop-2-enyl)benzamide?
4-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N,N-bis(prop-2-enyl)benzamide has a molecular weight of 364.45 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N,N-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 47493098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).