3-(3-acetylphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea

C19H24N4O2 — CID 52662096

IUPAC3-(3-acetylphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
SMILESCC(=O)c1cccc(NC(=O)N(CCN(C)C)Cc2cccnc2)c1
InChIInChI=1S/C19H24N4O2/c1-15(24)17-7-4-8-18(12-17)21-19(25)23(11-10-22(2)3)14-16-6-5-9-20-13-16/h4-9,12-13H,10-11,14H2,1-3H3,(H,21,25)
InChIKeyYEJHKBLFTRVRNV-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.88
Rot. Bonds7

About 3-(3-acetylphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea

3-(3-acetylphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea (PubChem CID 52662096) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-(3-acetylphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name3-(3-acetylphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
PubChem CID52662096
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-(3-acetylphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
SMILESCC(=O)c1cccc(NC(=O)N(CCN(C)C)Cc2cccnc2)c1
InChIInChI=1S/C19H24N4O2/c1-15(24)17-7-4-8-18(12-17)21-19(25)23(11-10-22(2)3)14-16-6-5-9-20-13-16/h4-9,12-13H,10-11,14H2,1-3H3,(H,21,25)
InChIKeyYEJHKBLFTRVRNV-UHFFFAOYSA-N
XLogP2.88
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-(3-propoxyphenyl)-1-(pyridin-3-ylmethyl)urea
CID 87009632
3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea
CID 111102179
3-(3,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
CID 87009010
1-[2-(dimethylamino)ethyl]-3-(9H-fluoren-2-yl)-1-(pyridin-3-ylmethyl)urea
CID 87009139
1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
CID 87008900
N-(3-acetylphenyl)-3-pyridin-3-ylpropanamide
CID 9209643
1-[2-(dimethylamino)ethyl]-3-(2-methoxy-5-methylphenyl)-1-(pyridin-3-ylmethyl)urea
CID 87009032
4-[[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)carbamoyl]amino]-N-ethyl-3-methylbenzamide
CID 87010560
N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 61243414
1-(3-acetylphenyl)-3-(pyridin-3-ylmethyl)thiourea
CID 970859
1-[3-(dimethylamino)propyl]-1-ethyl-3-[3-(pyridin-3-ylmethoxy)phenyl]urea
CID 119044870
1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)-3-[2-(trifluoromethylsulfanyl)phenyl]urea
CID 87010345

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 3-(3-acetylphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea (CID 52662096) is 3-(3-acetylphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 3-(3-acetylphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 3-(3-acetylphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea is CC(=O)c1cccc(NC(=O)N(CCN(C)C)Cc2cccnc2)c1.
What is the InChIKey of 3-(3-acetylphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea?
The InChIKey is YEJHKBLFTRVRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15(24)17-7-4-8-18(12-17)21-19(25)23(11-10-22(2)3)14-16-6-5-9-20-13-16/h4-9,12-13H,10-11,14H2,1-3H3,(H,21,25).
What are the key properties of 3-(3-acetylphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea?
3-(3-acetylphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea has a molecular weight of 340.43 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 52662096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).