1-(3-amino-4-pyridinyl)-3-phenylurea

C12H12N4O — CID 63061923

IUPAC1-(3-amino-4-pyridinyl)-3-phenylurea
SMILESNc1cnccc1NC(=O)Nc1ccccc1
InChIInChI=1S/C12H12N4O/c13-10-8-14-7-6-11(10)16-12(17)15-9-4-2-1-3-5-9/h1-8H,13H2,(H2,14,15,16,17)
InChIKeyGIFSWNVCFYLRLF-UHFFFAOYSA-N
MW228.26 g/mol
LogP2.31
Rot. Bonds2

About 1-(3-amino-4-pyridinyl)-3-phenylurea

1-(3-amino-4-pyridinyl)-3-phenylurea (PubChem CID 63061923) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-(3-amino-4-pyridinyl)-3-phenylurea.

Molecular Properties

Compound Name1-(3-amino-4-pyridinyl)-3-phenylurea
PubChem CID63061923
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name1-(3-amino-4-pyridinyl)-3-phenylurea
SMILESNc1cnccc1NC(=O)Nc1ccccc1
InChIInChI=1S/C12H12N4O/c13-10-8-14-7-6-11(10)16-12(17)15-9-4-2-1-3-5-9/h1-8H,13H2,(H2,14,15,16,17)
InChIKeyGIFSWNVCFYLRLF-UHFFFAOYSA-N
XLogP2.31
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-amino-4-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 63063127
N-(3-amino-4-pyridinyl)-2-phenylpropanamide
CID 114028695
1-(3-amino-4-pyridinyl)-3-(2,4-difluorophenyl)urea
CID 63062599
N-(3-amino-4-pyridinyl)-2-iodobenzamide
CID 63061561
N-(3-amino-4-pyridinyl)-2,6-dihydroxybenzamide
CID 107687654
2-[(3-amino-4-pyridinyl)sulfonyl]-N-phenylpropanamide
CID 62113291
1-(2-iodophenyl)-3-pyridin-4-ylurea
CID 3370542
N-(3-amino-4-pyridinyl)-2-cyclopropylpropanamide
CID 83147600
N-[2-(phenylcarbamoylamino)phenyl]acetamide
CID 113093680
N-(3-amino-4-pyridinyl)-2-bromofuran-3-carboxamide
CID 106850810
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
N-(3-amino-4-pyridinyl)cyclooctanecarboxamide
CID 65019463

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-pyridinyl)-3-phenylurea?
The IUPAC name of 1-(3-amino-4-pyridinyl)-3-phenylurea (CID 63061923) is 1-(3-amino-4-pyridinyl)-3-phenylurea.
What is the SMILES notation for 1-(3-amino-4-pyridinyl)-3-phenylurea?
The canonical SMILES for 1-(3-amino-4-pyridinyl)-3-phenylurea is Nc1cnccc1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-(3-amino-4-pyridinyl)-3-phenylurea?
The InChIKey is GIFSWNVCFYLRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c13-10-8-14-7-6-11(10)16-12(17)15-9-4-2-1-3-5-9/h1-8H,13H2,(H2,14,15,16,17).
What are the key properties of 1-(3-amino-4-pyridinyl)-3-phenylurea?
1-(3-amino-4-pyridinyl)-3-phenylurea has a molecular weight of 228.26 g/mol, XLogP of 2.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-pyridinyl)-3-phenylurea is sourced from PubChem (CID 63061923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).