1-pyridin-2-yl-3-(pyridin-4-ylmethyl)urea

C12H12N4O — CID 47237582

IUPAC1-pyridin-2-yl-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCc1ccncc1)Nc1ccccn1
InChIInChI=1S/C12H12N4O/c17-12(16-11-3-1-2-6-14-11)15-9-10-4-7-13-8-5-10/h1-8H,9H2,(H2,14,15,16,17)
InChIKeyLFOWOBGUEPBVBZ-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.80
Rot. Bonds3

About 1-pyridin-2-yl-3-(pyridin-4-ylmethyl)urea

1-pyridin-2-yl-3-(pyridin-4-ylmethyl)urea (PubChem CID 47237582) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-pyridin-2-yl-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-pyridin-2-yl-3-(pyridin-4-ylmethyl)urea
PubChem CID47237582
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name1-pyridin-2-yl-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCc1ccncc1)Nc1ccccn1
InChIInChI=1S/C12H12N4O/c17-12(16-11-3-1-2-6-14-11)15-9-10-4-7-13-8-5-10/h1-8H,9H2,(H2,14,15,16,17)
InChIKeyLFOWOBGUEPBVBZ-UHFFFAOYSA-N
XLogP1.80
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea
CID 108894670
1-(3-aminopropyl)-3-pyridin-2-ylurea
CID 110492095
1-(1H-pyrazol-5-ylmethyl)-3-pyridin-2-ylurea
CID 51084990
1-hydroxy-3-pyridin-2-ylurea
CID 20612761
N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947438
1-benzyl-3-(4-chloro-2-pyridinyl)urea
CID 108871348
N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135223119
1-(4-bromonaphthalen-1-yl)-3-(pyridin-4-ylmethyl)urea
CID 168868759
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-pyridin-2-ylurea
CID 55821483
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
1-(pyridin-4-ylmethyl)-3-(4-sulfanylphenyl)urea
CID 135231096
1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea
CID 47237954

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-pyridin-2-yl-3-(pyridin-4-ylmethyl)urea (CID 47237582) is 1-pyridin-2-yl-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-pyridin-2-yl-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-pyridin-2-yl-3-(pyridin-4-ylmethyl)urea is O=C(NCc1ccncc1)Nc1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-3-(pyridin-4-ylmethyl)urea?
The InChIKey is LFOWOBGUEPBVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c17-12(16-11-3-1-2-6-14-11)15-9-10-4-7-13-8-5-10/h1-8H,9H2,(H2,14,15,16,17).
What are the key properties of 1-pyridin-2-yl-3-(pyridin-4-ylmethyl)urea?
1-pyridin-2-yl-3-(pyridin-4-ylmethyl)urea has a molecular weight of 228.26 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 47237582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).