N-Phenyl-N'-2-pyridinylurea

C12H11N3O — CID 221427

IUPAC1-phenyl-3-pyridin-2-ylurea
SMILESC1=CC=C(C=C1)NC(=O)NC2=CC=CC=N2
InChIInChI=1S/C12H11N3O/c16-12(14-10-6-2-1-3-7-10)15-11-8-4-5-9-13-11/h1-9H,(H2,13,14,15,16)
InChIKeyFDMIXRXCYIIUDY-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.00
Rot. Bonds2

About N-Phenyl-N'-2-pyridinylurea

N-Phenyl-N'-2-pyridinylurea (PubChem CID 221427) has the molecular formula C12H11N3O and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-phenyl-3-pyridin-2-ylurea.

Molecular Properties

Compound NameN-Phenyl-N'-2-pyridinylurea
PubChem CID221427
Molecular FormulaC12H11N3O
Molecular Weight213.23 g/mol
Exact Mass213.09
IUPAC Name1-phenyl-3-pyridin-2-ylurea
SMILESC1=CC=C(C=C1)NC(=O)NC2=CC=CC=N2
InChIInChI=1S/C12H11N3O/c16-12(14-10-6-2-1-3-7-10)15-11-8-4-5-9-13-11/h1-9H,(H2,13,14,15,16)
InChIKeyFDMIXRXCYIIUDY-UHFFFAOYSA-N
XLogP2.00
TPSA54.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity226

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Aminopyridine
CID 10439
2-(Benzylamino)pyridine
CID 23362
N-2-Pyridylaniline
CID 81130
2,2'-Dipyridylamine
CID 14547
1-(2-Pyridyl)piperazine
CID 94459
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
2,3-Diaminopyridine
CID 9956
2,5-Pyridinediamine
CID 20314
2-Pyridinamine, N-methyl-
CID 20727
Pyridine-2-azo-p-dimethylaniline
CID 81528
N-(2,4-Difluorophenyl)-4-(2-pyridinyl)-1-piperazineacetamide
CID 3547487
5-Nitro-N-phenylpyridin-2-amine
CID 81268

Frequently Asked Questions

What is the IUPAC name of N-Phenyl-N'-2-pyridinylurea?
The IUPAC name of N-Phenyl-N'-2-pyridinylurea (CID 221427) is 1-phenyl-3-pyridin-2-ylurea.
What is the SMILES notation for N-Phenyl-N'-2-pyridinylurea?
The canonical SMILES for N-Phenyl-N'-2-pyridinylurea is C1=CC=C(C=C1)NC(=O)NC2=CC=CC=N2.
What is the InChIKey of N-Phenyl-N'-2-pyridinylurea?
The InChIKey is FDMIXRXCYIIUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c16-12(14-10-6-2-1-3-7-10)15-11-8-4-5-9-13-11/h1-9H,(H2,13,14,15,16).
What are the key properties of N-Phenyl-N'-2-pyridinylurea?
N-Phenyl-N'-2-pyridinylurea has a molecular weight of 213.23 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-Phenyl-N'-2-pyridinylurea is sourced from PubChem (CID 221427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).