1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea

C29H23N5O2 — CID 59268814

IUPAC1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea
SMILESN#Cc1cnc2oc(-c3ccccc3)cc2c1NCCc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C29H23N5O2/c30-18-22-19-32-28-25(17-26(36-28)21-7-3-1-4-8-21)27(22)31-16-15-20-11-13-24(14-12-20)34-29(35)33-23-9-5-2-6-10-23/h1-14,17,19H,15-16H2,(H,31,32)(H2,33,34,35)
InChIKeyVWYBJQNUWDMCOI-UHFFFAOYSA-N
MW473.54 g/mol
LogP6.67
Rot. Bonds7

About 1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea

1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea (PubChem CID 59268814) has the molecular formula C29H23N5O2 and a molecular weight of 473.54 g/mol. Its IUPAC name is 1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea
PubChem CID59268814
Molecular FormulaC29H23N5O2
Molecular Weight473.54 g/mol
Exact Mass473.19
IUPAC Name1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea
SMILESN#Cc1cnc2oc(-c3ccccc3)cc2c1NCCc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C29H23N5O2/c30-18-22-19-32-28-25(17-26(36-28)21-7-3-1-4-8-21)27(22)31-16-15-20-11-13-24(14-12-20)34-29(35)33-23-9-5-2-6-10-23/h1-14,17,19H,15-16H2,(H,31,32)(H2,33,34,35)
InChIKeyVWYBJQNUWDMCOI-UHFFFAOYSA-N
XLogP6.67
TPSA102.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.54
LogP ≤ 56.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea with MolForge

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Related Compounds

1-[4-[2-[[3-cyano-7-[3-(dimethylamino)propoxy]quinolin-4-yl]amino]ethyl]phenyl]-3-phenylurea
CID 59268684
1-[4-[2-[[3-cyano-7-[3-(dimethylamino)propoxy]quinolin-4-yl]amino]ethyl]phenyl]-3-[2-[(dimethylamino)methyl]phenyl]urea
CID 59268705
6-(5-hydroxy-3-pyridinyl)-4-(2-phenylethylamino)quinoline-3-carbonitrile
CID 170565419
1-[4-[2-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[6-cyano-2-[4-[3-(dimethylamino)propoxy]phenyl]-[1,3]oxazolo[5,4-b]pyridin-7-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[[3-cyano-7-[3-(dimethylamino)propoxy]quinolin-4-yl]amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[(3-cyano-1,8-naphthyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[(6-cyano-2-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[(6-cyano-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)amino]ethyl]phenyl]-3-phenylurea;1-[4-[2-[(6-cyano-2-phenyl-[1,3]thiazolo[5,4-b]pyridin-7-yl)amino]ethyl]phenyl]-3-phenylurea
CID 158431961
1-(3-fluorophenyl)-3-[4-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea
CID 59268672
N-(2-cyanophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259614
methyl N-[4-[[(3-cyanoquinolin-4-yl)amino]methyl]phenyl]carbamate
CID 133317533
4-[2-(1-methylpyrazol-4-yl)ethylamino]quinoline-3-carbonitrile
CID 80684252
6-chloro-4-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoline-3-carbonitrile
CID 133434869
1-(3-cyano-2-pyridinyl)-3-phenylurea
CID 110472230
5-[2-(4-fluorophenyl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109192413
1-[4-[2-[(5,6-diethylpyrimidin-4-yl)amino]ethyl]phenyl]-3-phenylurea
CID 91147673

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea (CID 59268814) is 1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea is N#Cc1cnc2oc(-c3ccccc3)cc2c1NCCc1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea?
The InChIKey is VWYBJQNUWDMCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N5O2/c30-18-22-19-32-28-25(17-26(36-28)21-7-3-1-4-8-21)27(22)31-16-15-20-11-13-24(14-12-20)34-29(35)33-23-9-5-2-6-10-23/h1-14,17,19H,15-16H2,(H,31,32)(H2,33,34,35).
What are the key properties of 1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea?
1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea has a molecular weight of 473.54 g/mol, XLogP of 6.67, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(5-cyano-2-phenylfuro[2,3-b]pyridin-4-yl)amino]ethyl]phenyl]-3-phenylurea is sourced from PubChem (CID 59268814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).