1-(4-aminophenyl)-1-methyl-3-(pyridin-4-ylmethyl)urea

C14H16N4O — CID 69070327

IUPAC1-(4-aminophenyl)-1-methyl-3-(pyridin-4-ylmethyl)urea
SMILESCN(C(=O)NCc1ccncc1)c1ccc(N)cc1
InChIInChI=1S/C14H16N4O/c1-18(13-4-2-12(15)3-5-13)14(19)17-10-11-6-8-16-9-7-11/h2-9H,10,15H2,1H3,(H,17,19)
InChIKeyDBOFOHVPGFRZNX-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.01
Rot. Bonds3

About 1-(4-aminophenyl)-1-methyl-3-(pyridin-4-ylmethyl)urea

1-(4-aminophenyl)-1-methyl-3-(pyridin-4-ylmethyl)urea (PubChem CID 69070327) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(4-aminophenyl)-1-methyl-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-aminophenyl)-1-methyl-3-(pyridin-4-ylmethyl)urea
PubChem CID69070327
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-(4-aminophenyl)-1-methyl-3-(pyridin-4-ylmethyl)urea
SMILESCN(C(=O)NCc1ccncc1)c1ccc(N)cc1
InChIInChI=1S/C14H16N4O/c1-18(13-4-2-12(15)3-5-13)14(19)17-10-11-6-8-16-9-7-11/h2-9H,10,15H2,1H3,(H,17,19)
InChIKeyDBOFOHVPGFRZNX-UHFFFAOYSA-N
XLogP2.01
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[methyl(pyridin-4-ylmethylcarbamoyl)amino]acetic acid
CID 43135912
3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 28712872
ethane;pyridin-4-ylmethylurea
CID 144877282
N-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119886989
N-(4-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide
CID 108899030
ethyl 2-[[methyl(pyridin-4-yl)carbamoyl]amino]acetate
CID 106936673
2-[4-(dimethylamino)anilino]-N-(pyridin-4-ylmethyl)acetamide
CID 108999838
1-methyl-1-(3-phenoxypropyl)-3-(pyridin-4-ylmethyl)urea
CID 86998973
4-[methyl(methylsulfonyl)amino]-N-(pyridin-4-ylmethyl)benzamide
CID 900511
1-(4-aminophenyl)-2-(pyridin-4-ylmethylamino)propan-1-one
CID 82258073
3-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]propanoic acid
CID 61194015
4-[ethylsulfonyl(methyl)amino]-N-(pyridin-4-ylmethyl)benzamide
CID 17200575

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-1-methyl-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-(4-aminophenyl)-1-methyl-3-(pyridin-4-ylmethyl)urea (CID 69070327) is 1-(4-aminophenyl)-1-methyl-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-(4-aminophenyl)-1-methyl-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-(4-aminophenyl)-1-methyl-3-(pyridin-4-ylmethyl)urea is CN(C(=O)NCc1ccncc1)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-1-methyl-3-(pyridin-4-ylmethyl)urea?
The InChIKey is DBOFOHVPGFRZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-18(13-4-2-12(15)3-5-13)14(19)17-10-11-6-8-16-9-7-11/h2-9H,10,15H2,1H3,(H,17,19).
What are the key properties of 1-(4-aminophenyl)-1-methyl-3-(pyridin-4-ylmethyl)urea?
1-(4-aminophenyl)-1-methyl-3-(pyridin-4-ylmethyl)urea has a molecular weight of 256.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-1-methyl-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 69070327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).