1-phenyl-3-[[4-[[3-[(phenylcarbamoylamino)methyl]-4-pyridinyl]methyl]-3-pyridinyl]methyl]urea

C27H26N6O2 — CID 67060654

IUPAC1-phenyl-3-[[4-[[3-[(phenylcarbamoylamino)methyl]-4-pyridinyl]methyl]-3-pyridinyl]methyl]urea
SMILESO=C(NCc1cnccc1Cc1ccncc1CNC(=O)Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C27H26N6O2/c34-26(32-24-7-3-1-4-8-24)30-18-22-16-28-13-11-20(22)15-21-12-14-29-17-23(21)19-31-27(35)33-25-9-5-2-6-10-25/h1-14,16-17H,15,18-19H2,(H2,30,32,34)(H2,31,33,35)
InChIKeyCVNRWCZJDABVKK-UHFFFAOYSA-N
MW466.55 g/mol
LogP4.71
Rot. Bonds8

About 1-phenyl-3-[[4-[[3-[(phenylcarbamoylamino)methyl]-4-pyridinyl]methyl]-3-pyridinyl]methyl]urea

1-phenyl-3-[[4-[[3-[(phenylcarbamoylamino)methyl]-4-pyridinyl]methyl]-3-pyridinyl]methyl]urea (PubChem CID 67060654) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is 1-phenyl-3-[[4-[[3-[(phenylcarbamoylamino)methyl]-4-pyridinyl]methyl]-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[[4-[[3-[(phenylcarbamoylamino)methyl]-4-pyridinyl]methyl]-3-pyridinyl]methyl]urea
PubChem CID67060654
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC Name1-phenyl-3-[[4-[[3-[(phenylcarbamoylamino)methyl]-4-pyridinyl]methyl]-3-pyridinyl]methyl]urea
SMILESO=C(NCc1cnccc1Cc1ccncc1CNC(=O)Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C27H26N6O2/c34-26(32-24-7-3-1-4-8-24)30-18-22-16-28-13-11-20(22)15-21-12-14-29-17-23(21)19-31-27(35)33-25-9-5-2-6-10-25/h1-14,16-17H,15,18-19H2,(H2,30,32,34)(H2,31,33,35)
InChIKeyCVNRWCZJDABVKK-UHFFFAOYSA-N
XLogP4.71
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-phenyl-3-[[4-[[3-[(phenylcarbamoylamino)methyl]-4-pyridinyl]methyl]-3-pyridinyl]methyl]urea with MolForge

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Related Compounds

azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
1-(3-aminophenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea
CID 114956458
1-(4-acetylphenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea
CID 114957408
N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135223119
1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea
CID 23996231
1,3-bis[[4-(pyridin-3-ylcarbamoylamino)phenyl]methyl]urea
CID 135869753
(3-chloro-4-pyridinyl)methylcarbamic acid
CID 176952397
1-(4-anilinophenyl)-3-benzylurea
CID 24664594
1-[(2-chlorophenyl)methyl]-3-pyrazin-2-ylurea
CID 110492285
1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436667
1-(3-amino-4-pyridinyl)-3-phenylurea
CID 63061923
1-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-phenylurea
CID 110641908

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[[4-[[3-[(phenylcarbamoylamino)methyl]-4-pyridinyl]methyl]-3-pyridinyl]methyl]urea?
The IUPAC name of 1-phenyl-3-[[4-[[3-[(phenylcarbamoylamino)methyl]-4-pyridinyl]methyl]-3-pyridinyl]methyl]urea (CID 67060654) is 1-phenyl-3-[[4-[[3-[(phenylcarbamoylamino)methyl]-4-pyridinyl]methyl]-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-phenyl-3-[[4-[[3-[(phenylcarbamoylamino)methyl]-4-pyridinyl]methyl]-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-phenyl-3-[[4-[[3-[(phenylcarbamoylamino)methyl]-4-pyridinyl]methyl]-3-pyridinyl]methyl]urea is O=C(NCc1cnccc1Cc1ccncc1CNC(=O)Nc1ccccc1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[[4-[[3-[(phenylcarbamoylamino)methyl]-4-pyridinyl]methyl]-3-pyridinyl]methyl]urea?
The InChIKey is CVNRWCZJDABVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c34-26(32-24-7-3-1-4-8-24)30-18-22-16-28-13-11-20(22)15-21-12-14-29-17-23(21)19-31-27(35)33-25-9-5-2-6-10-25/h1-14,16-17H,15,18-19H2,(H2,30,32,34)(H2,31,33,35).
What are the key properties of 1-phenyl-3-[[4-[[3-[(phenylcarbamoylamino)methyl]-4-pyridinyl]methyl]-3-pyridinyl]methyl]urea?
1-phenyl-3-[[4-[[3-[(phenylcarbamoylamino)methyl]-4-pyridinyl]methyl]-3-pyridinyl]methyl]urea has a molecular weight of 466.55 g/mol, XLogP of 4.71, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[[4-[[3-[(phenylcarbamoylamino)methyl]-4-pyridinyl]methyl]-3-pyridinyl]methyl]urea is sourced from PubChem (CID 67060654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).