N-[3-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)benzamide

C31H25N5O2 — CID 66962968

IUPACN-[3-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2cccc(Nc3cc(-c4cccc5c4oc4ccccc45)ncn3)c2)cc1
InChIInChI=1S/C31H25N5O2/c1-36(2)23-15-13-20(14-16-23)31(37)35-22-8-5-7-21(17-22)34-29-18-27(32-19-33-29)26-11-6-10-25-24-9-3-4-12-28(24)38-30(25)26/h3-19H,1-2H3,(H,35,37)(H,32,33,34)
InChIKeyZTFSIOVEXAGSPQ-UHFFFAOYSA-N
MW499.57 g/mol
LogP7.10
Rot. Bonds6

About N-[3-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)benzamide

N-[3-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)benzamide (PubChem CID 66962968) has the molecular formula C31H25N5O2 and a molecular weight of 499.57 g/mol. Its IUPAC name is N-[3-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[3-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)benzamide
PubChem CID66962968
Molecular FormulaC31H25N5O2
Molecular Weight499.57 g/mol
Exact Mass499.20
IUPAC NameN-[3-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)Nc2cccc(Nc3cc(-c4cccc5c4oc4ccccc45)ncn3)c2)cc1
InChIInChI=1S/C31H25N5O2/c1-36(2)23-15-13-20(14-16-23)31(37)35-22-8-5-7-21(17-22)34-29-18-27(32-19-33-29)26-11-6-10-25-24-9-3-4-12-28(24)38-30(25)26/h3-19H,1-2H3,(H,35,37)(H,32,33,34)
InChIKeyZTFSIOVEXAGSPQ-UHFFFAOYSA-N
XLogP7.10
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.57
LogP ≤ 57.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-4-(dimethylamino)benzamide
CID 156902546
tert-butyl N-[2-[4-[[3-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]phenyl]ethyl]carbamate
CID 69021120
4-(2-aminoethyl)-N-[3-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 66963237
tert-butyl-[2-[[3-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]phenyl]carbamic acid
CID 69021754
tert-butyl-[[4-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]phenyl]methyl]carbamic acid
CID 69020380
tert-butyl-[2-[4-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]phenyl]ethyl]carbamic acid
CID 69021304
5-(aminomethyl)-N-[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide
CID 66963332
tert-butyl-[[5-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]-3-pyridinyl]methyl]carbamic acid
CID 69023288
tert-butyl N-[4-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]carbamate
CID 156902552
N-(3-aminophenyl)-N-[3-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]-2,2,2-trifluoroacetamide
CID 87216636
tert-butyl N-[2-[3-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]phenyl]ethyl]carbamate
CID 69023371
tert-butyl-[[6-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]-2-pyridinyl]methyl]carbamic acid
CID 69021129

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[3-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)benzamide (CID 66962968) is N-[3-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[3-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[3-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)Nc2cccc(Nc3cc(-c4cccc5c4oc4ccccc45)ncn3)c2)cc1.
What is the InChIKey of N-[3-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)benzamide?
The InChIKey is ZTFSIOVEXAGSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N5O2/c1-36(2)23-15-13-20(14-16-23)31(37)35-22-8-5-7-21(17-22)34-29-18-27(32-19-33-29)26-11-6-10-25-24-9-3-4-12-28(24)38-30(25)26/h3-19H,1-2H3,(H,35,37)(H,32,33,34).
What are the key properties of N-[3-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)benzamide?
N-[3-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)benzamide has a molecular weight of 499.57 g/mol, XLogP of 7.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 66962968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).