5-[benzoyl(morpholin-4-yl)amino]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

C26H25N5O3 — CID 91014188

IUPAC5-[benzoyl(morpholin-4-yl)amino]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
SMILESCc1ccc(N(C(=O)c2ccccc2)N2CCOCC2)cc1C(=O)Nc1cnc2[nH]ccc2c1
InChIInChI=1S/C26H25N5O3/c1-18-7-8-22(16-23(18)25(32)29-21-15-20-9-10-27-24(20)28-17-21)31(30-11-13-34-14-12-30)26(33)19-5-3-2-4-6-19/h2-10,15-17H,11-14H2,1H3,(H,27,28)(H,29,32)
InChIKeyRJWHYPZIWFTPHA-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.02
Rot. Bonds5

About 5-[benzoyl(morpholin-4-yl)amino]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

5-[benzoyl(morpholin-4-yl)amino]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (PubChem CID 91014188) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 5-[benzoyl(morpholin-4-yl)amino]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name5-[benzoyl(morpholin-4-yl)amino]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
PubChem CID91014188
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name5-[benzoyl(morpholin-4-yl)amino]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
SMILESCc1ccc(N(C(=O)c2ccccc2)N2CCOCC2)cc1C(=O)Nc1cnc2[nH]ccc2c1
InChIInChI=1S/C26H25N5O3/c1-18-7-8-22(16-23(18)25(32)29-21-15-20-9-10-27-24(20)28-17-21)31(30-11-13-34-14-12-30)26(33)19-5-3-2-4-6-19/h2-10,15-17H,11-14H2,1H3,(H,27,28)(H,29,32)
InChIKeyRJWHYPZIWFTPHA-UHFFFAOYSA-N
XLogP4.02
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)benzoic acid
CID 67007623
N-(3-bromophenyl)-6-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 91453461
2-bromo-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 70866161
4-tert-butyl-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 70931081
tert-butyl 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)benzoate
CID 68919681
2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164782
1-N-(6-phenoxy-3-pyridinyl)-3-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide
CID 67006872
5-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide
CID 174936745
N-benzoyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 150987642
4-[2-methyl-5-[morpholin-4-yl(phenyl)carbamoyl]phenyl]piperazine-1-carboxylic acid
CID 91457388
2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)quinoline-3-carboxamide
CID 86915804
N-methyl-N-morpholin-4-ylbenzamide
CID 154120289

Frequently Asked Questions

What is the IUPAC name of 5-[benzoyl(morpholin-4-yl)amino]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The IUPAC name of 5-[benzoyl(morpholin-4-yl)amino]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (CID 91014188) is 5-[benzoyl(morpholin-4-yl)amino]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 5-[benzoyl(morpholin-4-yl)amino]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The canonical SMILES for 5-[benzoyl(morpholin-4-yl)amino]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is Cc1ccc(N(C(=O)c2ccccc2)N2CCOCC2)cc1C(=O)Nc1cnc2[nH]ccc2c1.
What is the InChIKey of 5-[benzoyl(morpholin-4-yl)amino]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The InChIKey is RJWHYPZIWFTPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-18-7-8-22(16-23(18)25(32)29-21-15-20-9-10-27-24(20)28-17-21)31(30-11-13-34-14-12-30)26(33)19-5-3-2-4-6-19/h2-10,15-17H,11-14H2,1H3,(H,27,28)(H,29,32).
What are the key properties of 5-[benzoyl(morpholin-4-yl)amino]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
5-[benzoyl(morpholin-4-yl)amino]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide has a molecular weight of 455.52 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzoyl(morpholin-4-yl)amino]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 91014188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).