N-(4-chlorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide

C16H14ClN3O — CID 53014071

IUPACN-(4-chlorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCn1cc(CC(=O)Nc2ccc(Cl)cc2)c2cccnc21
InChIInChI=1S/C16H14ClN3O/c1-20-10-11(14-3-2-8-18-16(14)20)9-15(21)19-13-6-4-12(17)5-7-13/h2-8,10H,9H2,1H3,(H,19,21)
InChIKeyBDBJRDHFQCJLPG-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.41
Rot. Bonds3

About N-(4-chlorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide

N-(4-chlorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide (PubChem CID 53014071) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
PubChem CID53014071
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameN-(4-chlorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCn1cc(CC(=O)Nc2ccc(Cl)cc2)c2cccnc21
InChIInChI=1S/C16H14ClN3O/c1-20-10-11(14-3-2-8-18-16(14)20)9-15(21)19-13-6-4-12(17)5-7-13/h2-8,10H,9H2,1H3,(H,19,21)
InChIKeyBDBJRDHFQCJLPG-UHFFFAOYSA-N
XLogP3.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]hydroxylamine
CID 82653823
N-(3-methoxypropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144367
N-(3-chloro-4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162873
N-(5-chloro-2-pyridinyl)-2-(1-methylindol-3-yl)acetamide
CID 4568690
2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 53144407
1-(4-chlorophenyl)-3-[2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]urea
CID 53144630
2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 53144349
2-[2-(4-chloroanilino)-2-oxoethyl]pyridine-3-carboxylic acid
CID 71428500
2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95095586
2-(2-chloro-4-methoxyphenyl)-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
CID 53145052
2-(1-methylindol-3-yl)-N-quinolin-5-ylacetamide
CID 51055371
2-(6-chloro-1-methylindol-3-yl)-N-naphthalen-2-ylacetamide
CID 91242276

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide (CID 53014071) is N-(4-chlorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide is Cn1cc(CC(=O)Nc2ccc(Cl)cc2)c2cccnc21.
What is the InChIKey of N-(4-chlorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is BDBJRDHFQCJLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-20-10-11(14-3-2-8-18-16(14)20)9-15(21)19-13-6-4-12(17)5-7-13/h2-8,10H,9H2,1H3,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide?
N-(4-chlorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 299.76 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 53014071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).