N'-[2-(4-bromobenzoyl)-4,6-diphenylfuro[2,3-b]pyridin-3-yl]-N,N-dimethylmethanimidamide

C29H22BrN3O2 — CID 10324505

IUPACN'-[2-(4-bromobenzoyl)-4,6-diphenylfuro[2,3-b]pyridin-3-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1c(C(=O)c2ccc(Br)cc2)oc2nc(-c3ccccc3)cc(-c3ccccc3)c12
InChIInChI=1S/C29H22BrN3O2/c1-33(2)18-31-26-25-23(19-9-5-3-6-10-19)17-24(20-11-7-4-8-12-20)32-29(25)35-28(26)27(34)21-13-15-22(30)16-14-21/h3-18H,1-2H3/b31-18+
InChIKeyDSAVMYIWITYCCJ-FDAWAROLSA-N
MW524.42 g/mol
LogP7.38
Rot. Bonds6

About N'-[2-(4-bromobenzoyl)-4,6-diphenylfuro[2,3-b]pyridin-3-yl]-N,N-dimethylmethanimidamide

N'-[2-(4-bromobenzoyl)-4,6-diphenylfuro[2,3-b]pyridin-3-yl]-N,N-dimethylmethanimidamide (PubChem CID 10324505) has the molecular formula C29H22BrN3O2 and a molecular weight of 524.42 g/mol. Its IUPAC name is N'-[2-(4-bromobenzoyl)-4,6-diphenylfuro[2,3-b]pyridin-3-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[2-(4-bromobenzoyl)-4,6-diphenylfuro[2,3-b]pyridin-3-yl]-N,N-dimethylmethanimidamide
PubChem CID10324505
Molecular FormulaC29H22BrN3O2
Molecular Weight524.42 g/mol
Exact Mass523.09
IUPAC NameN'-[2-(4-bromobenzoyl)-4,6-diphenylfuro[2,3-b]pyridin-3-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1c(C(=O)c2ccc(Br)cc2)oc2nc(-c3ccccc3)cc(-c3ccccc3)c12
InChIInChI=1S/C29H22BrN3O2/c1-33(2)18-31-26-25-23(19-9-5-3-6-10-19)17-24(20-11-7-4-8-12-20)32-29(25)35-28(26)27(34)21-13-15-22(30)16-14-21/h3-18H,1-2H3/b31-18+
InChIKeyDSAVMYIWITYCCJ-FDAWAROLSA-N
XLogP7.38
TPSA58.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.42
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromobenzoyl)-4,6-diphenylfuro[2,3-b]pyridin-3-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[2-(4-bromobenzoyl)-4,6-diphenylfuro[2,3-b]pyridin-3-yl]-N,N-dimethylmethanimidamide (CID 10324505) is N'-[2-(4-bromobenzoyl)-4,6-diphenylfuro[2,3-b]pyridin-3-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[2-(4-bromobenzoyl)-4,6-diphenylfuro[2,3-b]pyridin-3-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[2-(4-bromobenzoyl)-4,6-diphenylfuro[2,3-b]pyridin-3-yl]-N,N-dimethylmethanimidamide is CN(C)/C=N/c1c(C(=O)c2ccc(Br)cc2)oc2nc(-c3ccccc3)cc(-c3ccccc3)c12.
What is the InChIKey of N'-[2-(4-bromobenzoyl)-4,6-diphenylfuro[2,3-b]pyridin-3-yl]-N,N-dimethylmethanimidamide?
The InChIKey is DSAVMYIWITYCCJ-FDAWAROLSA-N. The full InChI is InChI=1S/C29H22BrN3O2/c1-33(2)18-31-26-25-23(19-9-5-3-6-10-19)17-24(20-11-7-4-8-12-20)32-29(25)35-28(26)27(34)21-13-15-22(30)16-14-21/h3-18H,1-2H3/b31-18+.
What are the key properties of N'-[2-(4-bromobenzoyl)-4,6-diphenylfuro[2,3-b]pyridin-3-yl]-N,N-dimethylmethanimidamide?
N'-[2-(4-bromobenzoyl)-4,6-diphenylfuro[2,3-b]pyridin-3-yl]-N,N-dimethylmethanimidamide has a molecular weight of 524.42 g/mol, XLogP of 7.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromobenzoyl)-4,6-diphenylfuro[2,3-b]pyridin-3-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 10324505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).