1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea

C24H20N6O2 — CID 23996528

IUPAC1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
SMILESO=C(Nc1ccc(-c2ccc(NC(=O)Nc3cccnc3)cc2)cc1)Nc1cccnc1
InChIInChI=1S/C24H20N6O2/c31-23(29-21-3-1-13-25-15-21)27-19-9-5-17(6-10-19)18-7-11-20(12-8-18)28-24(32)30-22-4-2-14-26-16-22/h1-16H,(H2,27,29,31)(H2,28,30,32)
InChIKeyFPNRXRISVFUFCB-UHFFFAOYSA-N
MW424.46 g/mol
LogP5.43
Rot. Bonds5

About 1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea

1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea (PubChem CID 23996528) has the molecular formula C24H20N6O2 and a molecular weight of 424.46 g/mol. Its IUPAC name is 1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea.

Molecular Properties

Compound Name1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
PubChem CID23996528
Molecular FormulaC24H20N6O2
Molecular Weight424.46 g/mol
Exact Mass424.16
IUPAC Name1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
SMILESO=C(Nc1ccc(-c2ccc(NC(=O)Nc3cccnc3)cc2)cc1)Nc1cccnc1
InChIInChI=1S/C24H20N6O2/c31-23(29-21-3-1-13-25-15-21)27-19-9-5-17(6-10-19)18-7-11-20(12-8-18)28-24(32)30-22-4-2-14-26-16-22/h1-16H,(H2,27,29,31)(H2,28,30,32)
InChIKeyFPNRXRISVFUFCB-UHFFFAOYSA-N
XLogP5.43
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.46
LogP ≤ 55.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea with MolForge

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Related Compounds

1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
4-(pyridin-3-ylcarbamoylamino)benzamide
CID 47129704
1-(4-methylsulfanylphenyl)-3-pyridin-3-ylurea
CID 15549386
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
1,3-bis[[4-(pyridin-3-ylcarbamoylamino)phenyl]methyl]urea
CID 135869753
2-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]benzoyl]cyclopropane-1-carboxylic acid
CID 68968261
1-(3,4-difluorophenyl)-3-pyridin-3-ylurea
CID 24535904
2-[4-(pyridin-3-ylcarbamoylamino)phenoxy]acetic acid
CID 63773250
1-anilino-3-pyridin-3-ylurea
CID 47127655
1-(dimethylamino)-3-pyridin-3-ylurea
CID 123360253
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridin-3-ylurea
CID 48759640
1-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylurea
CID 108865005

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea?
The IUPAC name of 1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea (CID 23996528) is 1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea.
What is the SMILES notation for 1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea?
The canonical SMILES for 1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea is O=C(Nc1ccc(-c2ccc(NC(=O)Nc3cccnc3)cc2)cc1)Nc1cccnc1.
What is the InChIKey of 1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea?
The InChIKey is FPNRXRISVFUFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2/c31-23(29-21-3-1-13-25-15-21)27-19-9-5-17(6-10-19)18-7-11-20(12-8-18)28-24(32)30-22-4-2-14-26-16-22/h1-16H,(H2,27,29,31)(H2,28,30,32).
What are the key properties of 1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea?
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea has a molecular weight of 424.46 g/mol, XLogP of 5.43, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea is sourced from PubChem (CID 23996528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).