1-N-(6-phenoxy-3-pyridinyl)-3-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide

C26H19N5O3 — CID 67006872

IUPAC1-N-(6-phenoxy-3-pyridinyl)-3-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)nc1)c1cccc(C(=O)Nc2cnc3[nH]ccc3c2)c1
InChIInChI=1S/C26H19N5O3/c32-25(30-20-9-10-23(28-15-20)34-22-7-2-1-3-8-22)18-5-4-6-19(13-18)26(33)31-21-14-17-11-12-27-24(17)29-16-21/h1-16H,(H,27,29)(H,30,32)(H,31,33)
InChIKeyUONNFEWRXOTPEI-UHFFFAOYSA-N
MW449.47 g/mol
LogP5.25
Rot. Bonds6

About 1-N-(6-phenoxy-3-pyridinyl)-3-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide

1-N-(6-phenoxy-3-pyridinyl)-3-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide (PubChem CID 67006872) has the molecular formula C26H19N5O3 and a molecular weight of 449.47 g/mol. Its IUPAC name is 1-N-(6-phenoxy-3-pyridinyl)-3-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(6-phenoxy-3-pyridinyl)-3-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide
PubChem CID67006872
Molecular FormulaC26H19N5O3
Molecular Weight449.47 g/mol
Exact Mass449.15
IUPAC Name1-N-(6-phenoxy-3-pyridinyl)-3-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)nc1)c1cccc(C(=O)Nc2cnc3[nH]ccc3c2)c1
InChIInChI=1S/C26H19N5O3/c32-25(30-20-9-10-23(28-15-20)34-22-7-2-1-3-8-22)18-5-4-6-19(13-18)26(33)31-21-14-17-11-12-27-24(17)29-16-21/h1-16H,(H,27,29)(H,30,32)(H,31,33)
InChIKeyUONNFEWRXOTPEI-UHFFFAOYSA-N
XLogP5.25
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.47
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(difluoromethoxy)-N-[6-(4-fluorophenoxy)-3-pyridinyl]benzamide
CID 55713821
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
1-N-[3-(2-cyanopropan-2-yl)phenyl]-3-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide
CID 67007572
2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)benzoic acid
CID 67007623
2-bromo-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 70866161
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-6-phenoxypyridine-3-carboxamide
CID 47046694
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-4-phenoxybenzamide
CID 173468677
N-(6-methoxy-3-pyridinyl)-2-oxo-1H-pyridine-4-carboxamide
CID 113257121
N-(4-phenoxyphenyl)-3-phenylbenzamide
CID 117089120
N-(6-phenoxy-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 56799313
N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302199
3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302206

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-phenoxy-3-pyridinyl)-3-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(6-phenoxy-3-pyridinyl)-3-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide (CID 67006872) is 1-N-(6-phenoxy-3-pyridinyl)-3-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(6-phenoxy-3-pyridinyl)-3-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(6-phenoxy-3-pyridinyl)-3-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide is O=C(Nc1ccc(Oc2ccccc2)nc1)c1cccc(C(=O)Nc2cnc3[nH]ccc3c2)c1.
What is the InChIKey of 1-N-(6-phenoxy-3-pyridinyl)-3-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide?
The InChIKey is UONNFEWRXOTPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O3/c32-25(30-20-9-10-23(28-15-20)34-22-7-2-1-3-8-22)18-5-4-6-19(13-18)26(33)31-21-14-17-11-12-27-24(17)29-16-21/h1-16H,(H,27,29)(H,30,32)(H,31,33).
What are the key properties of 1-N-(6-phenoxy-3-pyridinyl)-3-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide?
1-N-(6-phenoxy-3-pyridinyl)-3-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide has a molecular weight of 449.47 g/mol, XLogP of 5.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-phenoxy-3-pyridinyl)-3-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 67006872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).