2-(4-chlorophenyl)-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

C20H14ClN5O2 — CID 70817645

IUPAC2-(4-chlorophenyl)-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cncc(C(=O)c2c[nH]c3ncncc23)c1
InChIInChI=1S/C20H14ClN5O2/c21-14-3-1-12(2-4-14)5-18(27)26-15-6-13(7-22-8-15)19(28)16-10-24-20-17(16)9-23-11-25-20/h1-4,6-11H,5H2,(H,26,27)(H,23,24,25)
InChIKeyOILFQFKRWZVPLO-UHFFFAOYSA-N
MW391.82 g/mol
LogP3.42
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

2-(4-chlorophenyl)-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (PubChem CID 70817645) has the molecular formula C20H14ClN5O2 and a molecular weight of 391.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
PubChem CID70817645
Molecular FormulaC20H14ClN5O2
Molecular Weight391.82 g/mol
Exact Mass391.08
IUPAC Name2-(4-chlorophenyl)-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cncc(C(=O)c2c[nH]c3ncncc23)c1
InChIInChI=1S/C20H14ClN5O2/c21-14-3-1-12(2-4-14)5-18(27)26-15-6-13(7-22-8-15)19(28)16-10-24-20-17(16)9-23-11-25-20/h1-4,6-11H,5H2,(H,26,27)(H,23,24,25)
InChIKeyOILFQFKRWZVPLO-UHFFFAOYSA-N
XLogP3.42
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.82
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 70817645) is 2-(4-chlorophenyl)-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1cncc(C(=O)c2c[nH]c3ncncc23)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
The InChIKey is OILFQFKRWZVPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN5O2/c21-14-3-1-12(2-4-14)5-18(27)26-15-6-13(7-22-8-15)19(28)16-10-24-20-17(16)9-23-11-25-20/h1-4,6-11H,5H2,(H,26,27)(H,23,24,25).
What are the key properties of 2-(4-chlorophenyl)-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?
2-(4-chlorophenyl)-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 391.82 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[5-(7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 70817645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).