[4-(pyridin-4-ylmethylamino)phenyl]urea

C13H14N4O — CID 43744908

IUPAC[4-(pyridin-4-ylmethylamino)phenyl]urea
SMILESNC(=O)Nc1ccc(NCc2ccncc2)cc1
InChIInChI=1S/C13H14N4O/c14-13(18)17-12-3-1-11(2-4-12)16-9-10-5-7-15-8-6-10/h1-8,16H,9H2,(H3,14,17,18)
InChIKeyGFMMOHWLTFIHOZ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.18
Rot. Bonds4

About [4-(pyridin-4-ylmethylamino)phenyl]urea

[4-(pyridin-4-ylmethylamino)phenyl]urea (PubChem CID 43744908) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is [4-(pyridin-4-ylmethylamino)phenyl]urea.

Molecular Properties

Compound Name[4-(pyridin-4-ylmethylamino)phenyl]urea
PubChem CID43744908
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name[4-(pyridin-4-ylmethylamino)phenyl]urea
SMILESNC(=O)Nc1ccc(NCc2ccncc2)cc1
InChIInChI=1S/C13H14N4O/c14-13(18)17-12-3-1-11(2-4-12)16-9-10-5-7-15-8-6-10/h1-8,16H,9H2,(H3,14,17,18)
InChIKeyGFMMOHWLTFIHOZ-UHFFFAOYSA-N
XLogP2.18
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(benzylamino)phenyl]urea
CID 43744943
1-methyl-3-[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744357
2-phenyl-N-[4-(pyridin-4-ylmethylamino)phenyl]acetamide
CID 112983139
N-[4-(pyridin-4-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 28660347
2-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983118
3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983135
3-(pyridin-4-ylmethylamino)benzamide
CID 28650520
2-methyl-1-[4-(pyridin-4-ylmethylamino)phenyl]propan-1-one
CID 95463722
[4-[(3,4-difluorophenyl)methylamino]phenyl]urea
CID 43744882
[4-(3-pyridin-4-ylpropoxy)phenyl]urea
CID 143052287
3-chloro-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983148
3-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 2993697

Frequently Asked Questions

What is the IUPAC name of [4-(pyridin-4-ylmethylamino)phenyl]urea?
The IUPAC name of [4-(pyridin-4-ylmethylamino)phenyl]urea (CID 43744908) is [4-(pyridin-4-ylmethylamino)phenyl]urea.
What is the SMILES notation for [4-(pyridin-4-ylmethylamino)phenyl]urea?
The canonical SMILES for [4-(pyridin-4-ylmethylamino)phenyl]urea is NC(=O)Nc1ccc(NCc2ccncc2)cc1.
What is the InChIKey of [4-(pyridin-4-ylmethylamino)phenyl]urea?
The InChIKey is GFMMOHWLTFIHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c14-13(18)17-12-3-1-11(2-4-12)16-9-10-5-7-15-8-6-10/h1-8,16H,9H2,(H3,14,17,18).
What are the key properties of [4-(pyridin-4-ylmethylamino)phenyl]urea?
[4-(pyridin-4-ylmethylamino)phenyl]urea has a molecular weight of 242.28 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridin-4-ylmethylamino)phenyl]urea is sourced from PubChem (CID 43744908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).