1-(4-aminophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]urea

C14H16N4O2 — CID 62991565

IUPAC1-(4-aminophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(N)cc2)cn1
InChIInChI=1S/C14H16N4O2/c1-20-13-7-2-10(8-16-13)9-17-14(19)18-12-5-3-11(15)4-6-12/h2-8H,9,15H2,1H3,(H2,17,18,19)
InChIKeyDEOZRZQVSGMZQQ-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.99
Rot. Bonds4

About 1-(4-aminophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]urea

1-(4-aminophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]urea (PubChem CID 62991565) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]urea
PubChem CID62991565
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-(4-aminophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(N)cc2)cn1
InChIInChI=1S/C14H16N4O2/c1-20-13-7-2-10(8-16-13)9-17-14(19)18-12-5-3-11(15)4-6-12/h2-8H,9,15H2,1H3,(H2,17,18,19)
InChIKeyDEOZRZQVSGMZQQ-UHFFFAOYSA-N
XLogP1.99
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

1-tert-butyl-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 115576607
1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 51324930
N-[4-[[(6-methoxy-3-pyridinyl)methylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 86925104
1-[(6-methoxy-3-pyridinyl)methyl]-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825472
1-(6-methoxy-3-pyridinyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 51078466
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
1-[(6-ethoxy-3-pyridinyl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 155969626
1-(4-aminophenyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea
CID 108897076
1-(4-aminophenyl)-3-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]urea
CID 135223350
(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid
CID 62992130
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537
1-[(6-amino-3-pyridinyl)methyl]-3-(4-bromophenyl)urea
CID 134813904

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]urea?
The IUPAC name of 1-(4-aminophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]urea (CID 62991565) is 1-(4-aminophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(4-aminophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-(4-aminophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]urea is COc1ccc(CNC(=O)Nc2ccc(N)cc2)cn1.
What is the InChIKey of 1-(4-aminophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]urea?
The InChIKey is DEOZRZQVSGMZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-20-13-7-2-10(8-16-13)9-17-14(19)18-12-5-3-11(15)4-6-12/h2-8H,9,15H2,1H3,(H2,17,18,19).
What are the key properties of 1-(4-aminophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]urea?
1-(4-aminophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]urea has a molecular weight of 272.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-[(6-methoxy-3-pyridinyl)methyl]urea is sourced from PubChem (CID 62991565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).