1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyridin-2-ylurea

C16H19ClN4O — CID 110491991

IUPAC1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyridin-2-ylurea
SMILESCN(C)C(CNC(=O)Nc1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN4O/c1-21(2)14(12-6-8-13(17)9-7-12)11-19-16(22)20-15-5-3-4-10-18-15/h3-10,14H,11H2,1-2H3,(H2,18,19,20,22)
InChIKeyHMKJKZYFVOOMBU-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.16
Rot. Bonds5

About 1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyridin-2-ylurea

1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyridin-2-ylurea (PubChem CID 110491991) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyridin-2-ylurea
PubChem CID110491991
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyridin-2-ylurea
SMILESCN(C)C(CNC(=O)Nc1ccccn1)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN4O/c1-21(2)14(12-6-8-13(17)9-7-12)11-19-16(22)20-15-5-3-4-10-18-15/h3-10,14H,11H2,1-2H3,(H2,18,19,20,22)
InChIKeyHMKJKZYFVOOMBU-UHFFFAOYSA-N
XLogP3.16
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
CID 82538527
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
CID 43001414
3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
CID 110460305
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 134061146
1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea
CID 47237954
1-[2-(dimethylamino)-2-phenylethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 18101864
2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 4675953
1-(4-hydroxy-2-phenylbutyl)-3-pyridin-2-ylurea
CID 111450045
2-bromo-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 112503708
2-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
CID 110460165
1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]-3-pyridin-2-ylurea
CID 94129459
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 16931095

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyridin-2-ylurea (CID 110491991) is 1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyridin-2-ylurea is CN(C)C(CNC(=O)Nc1ccccn1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyridin-2-ylurea?
The InChIKey is HMKJKZYFVOOMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-21(2)14(12-6-8-13(17)9-7-12)11-19-16(22)20-15-5-3-4-10-18-15/h3-10,14H,11H2,1-2H3,(H2,18,19,20,22).
What are the key properties of 1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyridin-2-ylurea?
1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyridin-2-ylurea has a molecular weight of 318.81 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 110491991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).