[4-[1-(1-pyridin-4-ylethylamino)ethyl]phenyl]urea

C16H20N4O — CID 43750014

IUPAC[4-[1-(1-pyridin-4-ylethylamino)ethyl]phenyl]urea
SMILESCC(NC(C)c1ccc(NC(N)=O)cc1)c1ccncc1
InChIInChI=1S/C16H20N4O/c1-11(19-12(2)14-7-9-18-10-8-14)13-3-5-15(6-4-13)20-16(17)21/h3-12,19H,1-2H3,(H3,17,20,21)
InChIKeyZPYNDWIRJODPCG-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.98
Rot. Bonds5

About [4-[1-(1-pyridin-4-ylethylamino)ethyl]phenyl]urea

[4-[1-(1-pyridin-4-ylethylamino)ethyl]phenyl]urea (PubChem CID 43750014) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is [4-[1-(1-pyridin-4-ylethylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-(1-pyridin-4-ylethylamino)ethyl]phenyl]urea
PubChem CID43750014
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name[4-[1-(1-pyridin-4-ylethylamino)ethyl]phenyl]urea
SMILESCC(NC(C)c1ccc(NC(N)=O)cc1)c1ccncc1
InChIInChI=1S/C16H20N4O/c1-11(19-12(2)14-7-9-18-10-8-14)13-3-5-15(6-4-13)20-16(17)21/h3-12,19H,1-2H3,(H3,17,20,21)
InChIKeyZPYNDWIRJODPCG-UHFFFAOYSA-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

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Related Compounds

[4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenyl]urea
CID 81392080
[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
CID 81350343
methyl (2S)-2-[1-[4-(carbamoylamino)phenyl]ethylamino]propanoate
CID 43786771
[4-[1-(pentan-3-ylamino)ethyl]phenyl]urea
CID 43750016
[4-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]phenyl]urea
CID 65312424
[4-[1-(methoxyamino)ethyl]phenyl]urea
CID 82706415
[4-[1-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]ethyl]phenyl]urea
CID 43792044
1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81406241
[4-[1-(pent-4-yn-2-ylamino)ethyl]phenyl]urea
CID 115725242
[4-[1-(1-ethylsulfanylpropan-2-ylamino)ethyl]phenyl]urea
CID 115725626
2-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide
CID 81409606
(2R)-2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119288550

Frequently Asked Questions

What is the IUPAC name of [4-[1-(1-pyridin-4-ylethylamino)ethyl]phenyl]urea?
The IUPAC name of [4-[1-(1-pyridin-4-ylethylamino)ethyl]phenyl]urea (CID 43750014) is [4-[1-(1-pyridin-4-ylethylamino)ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-(1-pyridin-4-ylethylamino)ethyl]phenyl]urea?
The canonical SMILES for [4-[1-(1-pyridin-4-ylethylamino)ethyl]phenyl]urea is CC(NC(C)c1ccc(NC(N)=O)cc1)c1ccncc1.
What is the InChIKey of [4-[1-(1-pyridin-4-ylethylamino)ethyl]phenyl]urea?
The InChIKey is ZPYNDWIRJODPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11(19-12(2)14-7-9-18-10-8-14)13-3-5-15(6-4-13)20-16(17)21/h3-12,19H,1-2H3,(H3,17,20,21).
What are the key properties of [4-[1-(1-pyridin-4-ylethylamino)ethyl]phenyl]urea?
[4-[1-(1-pyridin-4-ylethylamino)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-(1-pyridin-4-ylethylamino)ethyl]phenyl]urea is sourced from PubChem (CID 43750014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).