1-[4-[2-(diethylamino)ethyl]phenyl]-3-(pyridin-2-ylmethyl)urea

C19H26N4O — CID 119047435

IUPAC1-[4-[2-(diethylamino)ethyl]phenyl]-3-(pyridin-2-ylmethyl)urea
SMILESCCN(CC)CCc1ccc(NC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C19H26N4O/c1-3-23(4-2)14-12-16-8-10-17(11-9-16)22-19(24)21-15-18-7-5-6-13-20-18/h5-11,13H,3-4,12,14-15H2,1-2H3,(H2,21,22,24)
InChIKeyPRKMQJUTRFNIQP-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.29
Rot. Bonds8

About 1-[4-[2-(diethylamino)ethyl]phenyl]-3-(pyridin-2-ylmethyl)urea

1-[4-[2-(diethylamino)ethyl]phenyl]-3-(pyridin-2-ylmethyl)urea (PubChem CID 119047435) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[4-[2-(diethylamino)ethyl]phenyl]-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-[2-(diethylamino)ethyl]phenyl]-3-(pyridin-2-ylmethyl)urea
PubChem CID119047435
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[4-[2-(diethylamino)ethyl]phenyl]-3-(pyridin-2-ylmethyl)urea
SMILESCCN(CC)CCc1ccc(NC(=O)NCc2ccccn2)cc1
InChIInChI=1S/C19H26N4O/c1-3-23(4-2)14-12-16-8-10-17(11-9-16)22-19(24)21-15-18-7-5-6-13-20-18/h5-11,13H,3-4,12,14-15H2,1-2H3,(H2,21,22,24)
InChIKeyPRKMQJUTRFNIQP-UHFFFAOYSA-N
XLogP3.29
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[2-(diethylamino)ethyl]phenyl]-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 91652991
1-[4-[2-(diethylamino)ethyl]phenyl]-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea
CID 119048998
N,N-diethylethanamine;pyridin-2-ylmethylcarbamothioic S-acid
CID 173452330
1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 971285
N-(4-ethylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963397
N,2-dimethyl-N-propan-2-yl-5-(pyridin-2-ylmethylcarbamoylamino)benzamide
CID 99839674
1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 770306
1-(1,2,3-benzothiadiazol-6-yl)-3-(pyridin-2-ylmethyl)urea
CID 71583724
1-[2-(4-bromophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 108902321
1-[4-(1-hydroxyethyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 61346268
2-chloro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61191580
1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(pyridin-2-ylmethyl)urea
CID 24664385

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(diethylamino)ethyl]phenyl]-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[4-[2-(diethylamino)ethyl]phenyl]-3-(pyridin-2-ylmethyl)urea (CID 119047435) is 1-[4-[2-(diethylamino)ethyl]phenyl]-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[4-[2-(diethylamino)ethyl]phenyl]-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[4-[2-(diethylamino)ethyl]phenyl]-3-(pyridin-2-ylmethyl)urea is CCN(CC)CCc1ccc(NC(=O)NCc2ccccn2)cc1.
What is the InChIKey of 1-[4-[2-(diethylamino)ethyl]phenyl]-3-(pyridin-2-ylmethyl)urea?
The InChIKey is PRKMQJUTRFNIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-23(4-2)14-12-16-8-10-17(11-9-16)22-19(24)21-15-18-7-5-6-13-20-18/h5-11,13H,3-4,12,14-15H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[4-[2-(diethylamino)ethyl]phenyl]-3-(pyridin-2-ylmethyl)urea?
1-[4-[2-(diethylamino)ethyl]phenyl]-3-(pyridin-2-ylmethyl)urea has a molecular weight of 326.44 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(diethylamino)ethyl]phenyl]-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 119047435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).