[4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenyl]urea

C16H20N4O — CID 81392080

IUPAC[4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenyl]urea
SMILESCC(N[C@H](C)c1cccnc1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C16H20N4O/c1-11(19-12(2)14-4-3-9-18-10-14)13-5-7-15(8-6-13)20-16(17)21/h3-12,19H,1-2H3,(H3,17,20,21)/t11?,12-/m1/s1
InChIKeyDYVXRXUPHQPHSE-PIJUOVFKSA-N
MW284.36 g/mol
LogP2.98
Rot. Bonds5

About [4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenyl]urea

[4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenyl]urea (PubChem CID 81392080) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is [4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenyl]urea
PubChem CID81392080
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name[4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenyl]urea
SMILESCC(N[C@H](C)c1cccnc1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C16H20N4O/c1-11(19-12(2)14-4-3-9-18-10-14)13-5-7-15(8-6-13)20-16(17)21/h3-12,19H,1-2H3,(H3,17,20,21)/t11?,12-/m1/s1
InChIKeyDYVXRXUPHQPHSE-PIJUOVFKSA-N
XLogP2.98
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]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

[4-[1-(1-pyridin-4-ylethylamino)ethyl]phenyl]urea
CID 43750014
[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
CID 81350343
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81406480
1-(4-iodophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 81345023
1-(4-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79690838
N-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404603
methyl (2S)-2-[1-[4-(carbamoylamino)phenyl]ethylamino]propanoate
CID 43786771
1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 41430623
[4-[1-(pentan-3-ylamino)ethyl]phenyl]urea
CID 43750016
1-(4-methylsulfanylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79139134
[4-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]phenyl]urea
CID 65312424

Frequently Asked Questions

What is the IUPAC name of [4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenyl]urea?
The IUPAC name of [4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenyl]urea (CID 81392080) is [4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenyl]urea?
The canonical SMILES for [4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenyl]urea is CC(N[C@H](C)c1cccnc1)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenyl]urea?
The InChIKey is DYVXRXUPHQPHSE-PIJUOVFKSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11(19-12(2)14-4-3-9-18-10-14)13-5-7-15(8-6-13)20-16(17)21/h3-12,19H,1-2H3,(H3,17,20,21)/t11?,12-/m1/s1.
What are the key properties of [4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenyl]urea?
[4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenyl]urea has a molecular weight of 284.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenyl]urea is sourced from PubChem (CID 81392080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).