N-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide

C30H22N6O — CID 58345295

IUPACN-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide
SMILESNc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C30H22N6O/c31-27-24(12-7-19-32-27)28-35-26-18-17-25(20-8-3-1-4-9-20)34-29(26)36(28)23-15-13-22(14-16-23)33-30(37)21-10-5-2-6-11-21/h1-19H,(H2,31,32)(H,33,37)
InChIKeyCAOJEIYCHPRJSY-UHFFFAOYSA-N
MW482.55 g/mol
LogP5.98
Rot. Bonds5

About N-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide

N-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide (PubChem CID 58345295) has the molecular formula C30H22N6O and a molecular weight of 482.55 g/mol. Its IUPAC name is N-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide
PubChem CID58345295
Molecular FormulaC30H22N6O
Molecular Weight482.55 g/mol
Exact Mass482.19
IUPAC NameN-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide
SMILESNc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C30H22N6O/c31-27-24(12-7-19-32-27)28-35-26-18-17-25(20-8-3-1-4-9-20)34-29(26)36(28)23-15-13-22(14-16-23)33-30(37)21-10-5-2-6-11-21/h1-19H,(H2,31,32)(H,33,37)
InChIKeyCAOJEIYCHPRJSY-UHFFFAOYSA-N
XLogP5.98
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.55
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]-N-methoxybenzamide
CID 171069098
1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanone
CID 171069063
[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methanol
CID 169175454
2-[4-[2-(2-amino-3-pyridinyl)-5-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-phenylacetamide
CID 58344924
2-amino-2-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]ethanol
CID 169175573
N-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-4-[(Z)-N'-hydrazinylcarbamimidoyl]benzamide
CID 176947959
ethane;3-[3-(4-ethylphenyl)-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171102945
3-[3-[4-(chloromethyl)phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;ethene
CID 171103414
N-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]acetamide
CID 58344944
N'-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]butane-1,4-diamine
CID 171563268
1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 67311603
3-[3-[4-[(3-aminoazetidin-1-yl)methyl]phenyl]-5-phenylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 171068885

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide?
The IUPAC name of N-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide (CID 58345295) is N-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide.
What is the SMILES notation for N-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide?
The canonical SMILES for N-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide is Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide?
The InChIKey is CAOJEIYCHPRJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N6O/c31-27-24(12-7-19-32-27)28-35-26-18-17-25(20-8-3-1-4-9-20)34-29(26)36(28)23-15-13-22(14-16-23)33-30(37)21-10-5-2-6-11-21/h1-19H,(H2,31,32)(H,33,37).
What are the key properties of N-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide?
N-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide has a molecular weight of 482.55 g/mol, XLogP of 5.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]benzamide is sourced from PubChem (CID 58345295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).