N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

C33H26N4O2 — CID 156902519

IUPACN-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
SMILESO=C(Nc1ccc(Nc2ccnc(-c3cccc4c3oc3ccccc34)c2)cc1)c1ccc2c(c1)CCNC2
InChIInChI=1S/C33H26N4O2/c38-33(22-8-9-23-20-34-16-14-21(23)18-22)37-25-12-10-24(11-13-25)36-26-15-17-35-30(19-26)29-6-3-5-28-27-4-1-2-7-31(27)39-32(28)29/h1-13,15,17-19,34H,14,16,20H2,(H,35,36)(H,37,38)
InChIKeyWKQVNRFWJGSCRZ-UHFFFAOYSA-N
MW510.60 g/mol
LogP7.29
Rot. Bonds5

About N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide

N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide (PubChem CID 156902519) has the molecular formula C33H26N4O2 and a molecular weight of 510.60 g/mol. Its IUPAC name is N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
PubChem CID156902519
Molecular FormulaC33H26N4O2
Molecular Weight510.60 g/mol
Exact Mass510.21
IUPAC NameN-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
SMILESO=C(Nc1ccc(Nc2ccnc(-c3cccc4c3oc3ccccc34)c2)cc1)c1ccc2c(c1)CCNC2
InChIInChI=1S/C33H26N4O2/c38-33(22-8-9-23-20-34-16-14-21(23)18-22)37-25-12-10-24(11-13-25)36-26-15-17-35-30(19-26)29-6-3-5-28-27-4-1-2-7-31(27)39-32(28)29/h1-13,15,17-19,34H,14,16,20H2,(H,35,36)(H,37,38)
InChIKeyWKQVNRFWJGSCRZ-UHFFFAOYSA-N
XLogP7.29
TPSA79.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 57.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide with MolForge

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Related Compounds

4-(2-aminoethyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]benzamide
CID 156902621
tert-butyl N-[2-[4-[[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]propan-2-yl]carbamate
CID 156902528
tert-butyl N-[4-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]carbamate
CID 156902552
N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-2-(dimethylamino)benzamide
CID 156902536
N-[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-4-(dimethylamino)benzamide
CID 156902546
2-(4-aminophenyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]acetamide
CID 156902521
tert-butyl N-[3-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]carbamate
CID 156902638
tert-butyl N-[2-[4-[[3-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]carbamoyl]phenyl]ethyl]carbamate
CID 156902609
5-(aminomethyl)-N-[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide
CID 66963332
tert-butyl N-[2-[3-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]phenyl]ethyl]carbamate
CID 69023371
tert-butyl-[[4-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]phenyl]methyl]carbamic acid
CID 69020380
N-[3-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]-4-(dimethylamino)benzamide
CID 66962968

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The IUPAC name of N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide (CID 156902519) is N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide.
What is the SMILES notation for N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The canonical SMILES for N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide is O=C(Nc1ccc(Nc2ccnc(-c3cccc4c3oc3ccccc34)c2)cc1)c1ccc2c(c1)CCNC2.
What is the InChIKey of N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
The InChIKey is WKQVNRFWJGSCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N4O2/c38-33(22-8-9-23-20-34-16-14-21(23)18-22)37-25-12-10-24(11-13-25)36-26-15-17-35-30(19-26)29-6-3-5-28-27-4-1-2-7-31(27)39-32(28)29/h1-13,15,17-19,34H,14,16,20H2,(H,35,36)(H,37,38).
What are the key properties of N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide?
N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide has a molecular weight of 510.60 g/mol, XLogP of 7.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide is sourced from PubChem (CID 156902519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).