1-(2-aminophenyl)-3-(pyridin-3-ylmethyl)urea

C13H14N4O — CID 67416886

IUPAC1-(2-aminophenyl)-3-(pyridin-3-ylmethyl)urea
SMILESNc1ccccc1NC(=O)NCc1cccnc1
InChIInChI=1S/C13H14N4O/c14-11-5-1-2-6-12(11)17-13(18)16-9-10-4-3-7-15-8-10/h1-8H,9,14H2,(H2,16,17,18)
InChIKeyKMYDYZNPTJKEGZ-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.99
Rot. Bonds3

About 1-(2-aminophenyl)-3-(pyridin-3-ylmethyl)urea

1-(2-aminophenyl)-3-(pyridin-3-ylmethyl)urea (PubChem CID 67416886) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(2-aminophenyl)-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-aminophenyl)-3-(pyridin-3-ylmethyl)urea
PubChem CID67416886
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name1-(2-aminophenyl)-3-(pyridin-3-ylmethyl)urea
SMILESNc1ccccc1NC(=O)NCc1cccnc1
InChIInChI=1S/C13H14N4O/c14-11-5-1-2-6-12(11)17-13(18)16-9-10-4-3-7-15-8-10/h1-8H,9,14H2,(H2,16,17,18)
InChIKeyKMYDYZNPTJKEGZ-UHFFFAOYSA-N
XLogP1.99
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminophenyl)-3-benzylurea
CID 86135193
1-(2-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 4118863
2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid
CID 62534222
1-(pyridin-3-ylmethyl)-3-(2,3,4-trifluorophenyl)urea
CID 47193920
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 22184587
1-(4-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125736
1-(1H-indol-3-yl)-3-(pyridin-3-ylmethyl)urea
CID 18582261
1-(3-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47032706
2-methyl-3-(pyridin-3-ylmethylcarbamoylamino)benzoic acid
CID 62948416
2-amino-N-(pyridin-3-ylmethyl)butanamide
CID 43649510
pyridin-3-ylmethyl N-[[4-[3-(2-aminoanilino)-2-methyl-3-oxopropyl]phenyl]methyl]carbamate
CID 142222178

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(2-aminophenyl)-3-(pyridin-3-ylmethyl)urea (CID 67416886) is 1-(2-aminophenyl)-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(2-aminophenyl)-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(2-aminophenyl)-3-(pyridin-3-ylmethyl)urea is Nc1ccccc1NC(=O)NCc1cccnc1.
What is the InChIKey of 1-(2-aminophenyl)-3-(pyridin-3-ylmethyl)urea?
The InChIKey is KMYDYZNPTJKEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c14-11-5-1-2-6-12(11)17-13(18)16-9-10-4-3-7-15-8-10/h1-8H,9,14H2,(H2,16,17,18).
What are the key properties of 1-(2-aminophenyl)-3-(pyridin-3-ylmethyl)urea?
1-(2-aminophenyl)-3-(pyridin-3-ylmethyl)urea has a molecular weight of 242.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 67416886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).