azane;1-phenyl-3-(pyridin-3-ylmethyl)urea

C13H16N4O — CID 175504411

IUPACazane;1-phenyl-3-(pyridin-3-ylmethyl)urea
SMILESN.O=C(NCc1cccnc1)Nc1ccccc1
InChIInChI=1S/C13H13N3O.H3N/c17-13(16-12-6-2-1-3-7-12)15-10-11-5-4-8-14-9-11;/h1-9H,10H2,(H2,15,16,17);1H3
InChIKeyNUWTZOYJMKAFQS-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.57
Rot. Bonds3

About azane;1-phenyl-3-(pyridin-3-ylmethyl)urea

azane;1-phenyl-3-(pyridin-3-ylmethyl)urea (PubChem CID 175504411) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is azane;1-phenyl-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Nameazane;1-phenyl-3-(pyridin-3-ylmethyl)urea
PubChem CID175504411
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Nameazane;1-phenyl-3-(pyridin-3-ylmethyl)urea
SMILESN.O=C(NCc1cccnc1)Nc1ccccc1
InChIInChI=1S/C13H13N3O.H3N/c17-13(16-12-6-2-1-3-7-12)15-10-11-5-4-8-14-9-11;/h1-9H,10H2,(H2,15,16,17);1H3
InChIKeyNUWTZOYJMKAFQS-UHFFFAOYSA-N
XLogP2.57
TPSA89.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125675
1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110706294
1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 17280574
4-(pyridin-3-ylmethylcarbamoylamino)benzenesulfonic acid
CID 127560849
1-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 4565553
1-phenyl-3-(pyridin-3-ylmethyl)thiourea
CID 804302
2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid
CID 62534222
N-[4-(pyridin-3-ylmethylcarbamoylamino)anilino]formamide
CID 91704077
1-[4-[hydroxy(oxido)amino]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 163182359
1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea
CID 113027801
1,3-bis[[4-(pyridin-3-ylcarbamoylamino)phenyl]methyl]urea
CID 135869753
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149

Frequently Asked Questions

What is the IUPAC name of azane;1-phenyl-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of azane;1-phenyl-3-(pyridin-3-ylmethyl)urea (CID 175504411) is azane;1-phenyl-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for azane;1-phenyl-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for azane;1-phenyl-3-(pyridin-3-ylmethyl)urea is N.O=C(NCc1cccnc1)Nc1ccccc1.
What is the InChIKey of azane;1-phenyl-3-(pyridin-3-ylmethyl)urea?
The InChIKey is NUWTZOYJMKAFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O.H3N/c17-13(16-12-6-2-1-3-7-12)15-10-11-5-4-8-14-9-11;/h1-9H,10H2,(H2,15,16,17);1H3.
What are the key properties of azane;1-phenyl-3-(pyridin-3-ylmethyl)urea?
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea has a molecular weight of 244.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-phenyl-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 175504411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).