2-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide

C21H17ClN4O — CID 134808383

IUPAC2-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1c[nH]c2ncc(-c3ccc(Cl)cc3)cc12)NCc1cccnc1
InChIInChI=1S/C21H17ClN4O/c22-18-5-3-15(4-6-18)16-8-19-17(13-26-21(19)25-12-16)9-20(27)24-11-14-2-1-7-23-10-14/h1-8,10,12-13H,9,11H2,(H,24,27)(H,25,26)
InChIKeySNIYFFRMNXCRLJ-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.14
Rot. Bonds5

About 2-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 134808383) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID134808383
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name2-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1c[nH]c2ncc(-c3ccc(Cl)cc3)cc12)NCc1cccnc1
InChIInChI=1S/C21H17ClN4O/c22-18-5-3-15(4-6-18)16-8-19-17(13-26-21(19)25-12-16)9-20(27)24-11-14-2-1-7-23-10-14/h1-8,10,12-13H,9,11H2,(H,24,27)(H,25,26)
InChIKeySNIYFFRMNXCRLJ-UHFFFAOYSA-N
XLogP4.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
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6-Chloro-N-Cyclohexyl-4-(1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyridin-2-Amine
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1-(4-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methanamine
CID 11696113
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N-{5-[4-Amino-7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonyl]pyridin-3-Yl}-2-(4-Chlorophenyl)acetamide
CID 124219454
(2S)-2-(4-chlorobenzyl)-3-oxo-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-amine
CID 46870040
N-[1-[5-(3-Chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-piperidinyl]acetamide
CID 162366980
3-(4-Chloro-phenyl)-N-[4-(1H-imidazol-4-yl)-butyl]-3-pyridin-2-yl-propionamide
CID 9800162
3-(4-Chloro-phenyl)-N-[2-(1H-imidazol-4-yl)-ethyl]-N-methyl-3-pyridin-2-yl-propionamide
CID 10270424
4-(4-Chlorobenzyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-4-amine
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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 134808383) is 2-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide is O=C(Cc1c[nH]c2ncc(-c3ccc(Cl)cc3)cc12)NCc1cccnc1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is SNIYFFRMNXCRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c22-18-5-3-15(4-6-18)16-8-19-17(13-26-21(19)25-12-16)9-20(27)24-11-14-2-1-7-23-10-14/h1-8,10,12-13H,9,11H2,(H,24,27)(H,25,26).
What are the key properties of 2-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 376.85 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 134808383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).