N,N-dimethyl-4-[6-(4-phenoxyanilino)-1H-pyrrolo[3,2-c]pyridin-2-yl]benzamide

C28H24N4O2 — CID 90468549

IUPACN,N-dimethyl-4-[6-(4-phenoxyanilino)-1H-pyrrolo[3,2-c]pyridin-2-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2cc3cnc(Nc4ccc(Oc5ccccc5)cc4)cc3[nH]2)cc1
InChIInChI=1S/C28H24N4O2/c1-32(2)28(33)20-10-8-19(9-11-20)25-16-21-18-29-27(17-26(21)31-25)30-22-12-14-24(15-13-22)34-23-6-4-3-5-7-23/h3-18,31H,1-2H3,(H,29,30)
InChIKeyRGBSOUUXKIFNCR-UHFFFAOYSA-N
MW448.53 g/mol
LogP6.47
Rot. Bonds6

About N,N-dimethyl-4-[6-(4-phenoxyanilino)-1H-pyrrolo[3,2-c]pyridin-2-yl]benzamide

N,N-dimethyl-4-[6-(4-phenoxyanilino)-1H-pyrrolo[3,2-c]pyridin-2-yl]benzamide (PubChem CID 90468549) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is N,N-dimethyl-4-[6-(4-phenoxyanilino)-1H-pyrrolo[3,2-c]pyridin-2-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[6-(4-phenoxyanilino)-1H-pyrrolo[3,2-c]pyridin-2-yl]benzamide
PubChem CID90468549
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC NameN,N-dimethyl-4-[6-(4-phenoxyanilino)-1H-pyrrolo[3,2-c]pyridin-2-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2cc3cnc(Nc4ccc(Oc5ccccc5)cc4)cc3[nH]2)cc1
InChIInChI=1S/C28H24N4O2/c1-32(2)28(33)20-10-8-19(9-11-20)25-16-21-18-29-27(17-26(21)31-25)30-22-12-14-24(15-13-22)34-23-6-4-3-5-7-23/h3-18,31H,1-2H3,(H,29,30)
InChIKeyRGBSOUUXKIFNCR-UHFFFAOYSA-N
XLogP6.47
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 60848
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N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
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N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-2-oxo-1-phenyl-1,2-dihydropyridine-3-carboxamide
CID 21081770
N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-6-phenylpyridine-2-carboxamide
CID 21081778
2-[(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)carbamoyl]-1-oxido-6-phenylpyridin-1-ium
CID 24901689
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CID 135524085
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1-(4-carbamoylphenyl)-N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 24901681
N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-5-(4-fluorophenyl)-4-oxo-1,4-dihydropyridine-3-carboxamide
CID 24901682
N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-5-(4-fluorophenyl)-1-methyl-4-oxo-1,4-dihydropyridine-3-carboxamide
CID 24901683
1-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-5-(4-fluorophenyl)-4-oxo-1,4-dihydropyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[6-(4-phenoxyanilino)-1H-pyrrolo[3,2-c]pyridin-2-yl]benzamide?
The IUPAC name of N,N-dimethyl-4-[6-(4-phenoxyanilino)-1H-pyrrolo[3,2-c]pyridin-2-yl]benzamide (CID 90468549) is N,N-dimethyl-4-[6-(4-phenoxyanilino)-1H-pyrrolo[3,2-c]pyridin-2-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[6-(4-phenoxyanilino)-1H-pyrrolo[3,2-c]pyridin-2-yl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[6-(4-phenoxyanilino)-1H-pyrrolo[3,2-c]pyridin-2-yl]benzamide is CN(C)C(=O)c1ccc(-c2cc3cnc(Nc4ccc(Oc5ccccc5)cc4)cc3[nH]2)cc1.
What is the InChIKey of N,N-dimethyl-4-[6-(4-phenoxyanilino)-1H-pyrrolo[3,2-c]pyridin-2-yl]benzamide?
The InChIKey is RGBSOUUXKIFNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2/c1-32(2)28(33)20-10-8-19(9-11-20)25-16-21-18-29-27(17-26(21)31-25)30-22-12-14-24(15-13-22)34-23-6-4-3-5-7-23/h3-18,31H,1-2H3,(H,29,30).
What are the key properties of N,N-dimethyl-4-[6-(4-phenoxyanilino)-1H-pyrrolo[3,2-c]pyridin-2-yl]benzamide?
N,N-dimethyl-4-[6-(4-phenoxyanilino)-1H-pyrrolo[3,2-c]pyridin-2-yl]benzamide has a molecular weight of 448.53 g/mol, XLogP of 6.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[6-(4-phenoxyanilino)-1H-pyrrolo[3,2-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 90468549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).