2,4-bis(phenylmethoxy)-5-propan-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

C31H29N3O3 — CID 135336963

IUPAC2,4-bis(phenylmethoxy)-5-propan-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
SMILESCC(C)c1cc(C(=O)Nc2cnc3[nH]ccc3c2)c(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C31H29N3O3/c1-21(2)26-16-27(31(35)34-25-15-24-13-14-32-30(24)33-18-25)29(37-20-23-11-7-4-8-12-23)17-28(26)36-19-22-9-5-3-6-10-22/h3-18,21H,19-20H2,1-2H3,(H,32,33)(H,34,35)
InChIKeyNKEXKRWDRHYHAV-UHFFFAOYSA-N
MW491.59 g/mol
LogP7.10
Rot. Bonds9

About 2,4-bis(phenylmethoxy)-5-propan-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

2,4-bis(phenylmethoxy)-5-propan-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (PubChem CID 135336963) has the molecular formula C31H29N3O3 and a molecular weight of 491.59 g/mol. Its IUPAC name is 2,4-bis(phenylmethoxy)-5-propan-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name2,4-bis(phenylmethoxy)-5-propan-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
PubChem CID135336963
Molecular FormulaC31H29N3O3
Molecular Weight491.59 g/mol
Exact Mass491.22
IUPAC Name2,4-bis(phenylmethoxy)-5-propan-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
SMILESCC(C)c1cc(C(=O)Nc2cnc3[nH]ccc3c2)c(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C31H29N3O3/c1-21(2)26-16-27(31(35)34-25-15-24-13-14-32-30(24)33-18-25)29(37-20-23-11-7-4-8-12-23)17-28(26)36-19-22-9-5-3-6-10-22/h3-18,21H,19-20H2,1-2H3,(H,32,33)(H,34,35)
InChIKeyNKEXKRWDRHYHAV-UHFFFAOYSA-N
XLogP7.10
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.59
LogP ≤ 57.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylindol-7-yl)-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
CID 146316537
N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
CID 135336988
2,6-dichloro-3,5-dimethoxy-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 25122284
N-[2-(morpholine-4-carbonyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
CID 146316459
2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)benzoic acid
CID 67007623
N-(6-methoxy-3-pyridinyl)-2-phenylmethoxybenzamide
CID 2344191
methyl 2-[2,4-bis(phenylmethoxy)-5-propan-2-ylbenzoyl]-1,3-dihydroisoindole-5-carboxylate
CID 46914878
2-[6-[(2-phenylmethoxybenzoyl)amino]naphthalen-2-yl]oxyacetic acid
CID 10137340
1-N-(6-phenoxy-3-pyridinyl)-3-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide
CID 67006872
4-[(N-[2,4-bis(phenylmethoxy)-5-propan-2-ylbenzoyl]-4-fluoroanilino)methyl]benzoic acid
CID 167505936
2-phenylmethoxy-N,4-dipyridin-4-ylbenzamide
CID 135143390
2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide
CID 155221310

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(phenylmethoxy)-5-propan-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The IUPAC name of 2,4-bis(phenylmethoxy)-5-propan-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (CID 135336963) is 2,4-bis(phenylmethoxy)-5-propan-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 2,4-bis(phenylmethoxy)-5-propan-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The canonical SMILES for 2,4-bis(phenylmethoxy)-5-propan-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is CC(C)c1cc(C(=O)Nc2cnc3[nH]ccc3c2)c(OCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of 2,4-bis(phenylmethoxy)-5-propan-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The InChIKey is NKEXKRWDRHYHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O3/c1-21(2)26-16-27(31(35)34-25-15-24-13-14-32-30(24)33-18-25)29(37-20-23-11-7-4-8-12-23)17-28(26)36-19-22-9-5-3-6-10-22/h3-18,21H,19-20H2,1-2H3,(H,32,33)(H,34,35).
What are the key properties of 2,4-bis(phenylmethoxy)-5-propan-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
2,4-bis(phenylmethoxy)-5-propan-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide has a molecular weight of 491.59 g/mol, XLogP of 7.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(phenylmethoxy)-5-propan-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 135336963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).