1-[3-(1-aminoethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea

C16H20N4O — CID 61340581

IUPAC1-[3-(1-aminoethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea
SMILESCC(N)c1cccc(NC(=O)NC(C)c2ccncc2)c1
InChIInChI=1S/C16H20N4O/c1-11(17)14-4-3-5-15(10-14)20-16(21)19-12(2)13-6-8-18-9-7-13/h3-12H,17H2,1-2H3,(H2,19,20,21)
InChIKeyPMLZDTAEZSJWTC-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.98
Rot. Bonds4

About 1-[3-(1-aminoethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea

1-[3-(1-aminoethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea (PubChem CID 61340581) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea
PubChem CID61340581
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-[3-(1-aminoethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea
SMILESCC(N)c1cccc(NC(=O)NC(C)c2ccncc2)c1
InChIInChI=1S/C16H20N4O/c1-11(17)14-4-3-5-15(10-14)20-16(21)19-12(2)13-6-8-18-9-7-13/h3-12H,17H2,1-2H3,(H2,19,20,21)
InChIKeyPMLZDTAEZSJWTC-UHFFFAOYSA-N
XLogP2.98
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

1-[3-(1-aminoethyl)phenyl]-3-(1-thiophen-3-ylethyl)urea
CID 62844444
1-[3-(1-aminoethyl)phenyl]-3-(4-methylpentan-2-yl)urea
CID 61341307
1-naphthalen-2-yl-3-(1-pyridin-4-ylethyl)urea
CID 45147279
1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea
CID 45147289
1-[3-(1-aminoethyl)phenyl]-3-(6-methylheptan-2-yl)urea
CID 61471630
1-[3-(1-aminoethyl)phenyl]-3-(6-methyl-2-pyridinyl)urea
CID 61339473
1-[3-(1-aminoethyl)phenyl]-3-(2,3-dimethylphenyl)urea
CID 61342211
2-[[3-(1-aminoethyl)phenyl]carbamoylamino]-N-propan-2-ylacetamide
CID 61341683
1-[3-(difluoromethyl)phenyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
CID 97318670
1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 95130503
1-[3-(1-aminoethyl)phenyl]-3-propylurea
CID 43210542
N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide
CID 16782541

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea?
The IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea (CID 61340581) is 1-[3-(1-aminoethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-[3-(1-aminoethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-[3-(1-aminoethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea is CC(N)c1cccc(NC(=O)NC(C)c2ccncc2)c1.
What is the InChIKey of 1-[3-(1-aminoethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea?
The InChIKey is PMLZDTAEZSJWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11(17)14-4-3-5-15(10-14)20-16(21)19-12(2)13-6-8-18-9-7-13/h3-12H,17H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[3-(1-aminoethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea?
1-[3-(1-aminoethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea has a molecular weight of 284.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea is sourced from PubChem (CID 61340581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).