2-(4-chloroindol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide

C16H14ClN3O — CID 39334901

IUPAC2-(4-chloroindol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cccnc1NC(=O)Cn1ccc2c(Cl)cccc21
InChIInChI=1S/C16H14ClN3O/c1-11-4-3-8-18-16(11)19-15(21)10-20-9-7-12-13(17)5-2-6-14(12)20/h2-9H,10H2,1H3,(H,18,19,21)
InChIKeyIIUREEXGOIUQJW-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.64
Rot. Bonds3

About 2-(4-chloroindol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide

2-(4-chloroindol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide (PubChem CID 39334901) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-(4-chloroindol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-chloroindol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide
PubChem CID39334901
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name2-(4-chloroindol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cccnc1NC(=O)Cn1ccc2c(Cl)cccc21
InChIInChI=1S/C16H14ClN3O/c1-11-4-3-8-18-16(11)19-15(21)10-20-9-7-12-13(17)5-2-6-14(12)20/h2-9H,10H2,1H3,(H,18,19,21)
InChIKeyIIUREEXGOIUQJW-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloroindol-1-yl)-N-pyridin-4-ylacetamide
CID 52899114
2-(4-chloroindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 71704022
2-(4-chloroindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 116623796
2-(4-chloroindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 116623818
N-(3-methyl-2-pyridinyl)-2-propylsulfanylacetamide
CID 52671364
(2R)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid
CID 45496037
2-(4-chloroindol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 39314339
N-tert-butyl-2-(4-methylindol-1-yl)acetamide
CID 116620352
2-(4-methylindol-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 53370994
2-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 18129652
2-(2-hydroxyphenyl)-N-(3-methyl-2-pyridinyl)acetamide
CID 60615989
2-(4-methylindol-1-yl)-N-pentan-3-ylacetamide
CID 116620187

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroindol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-(4-chloroindol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide (CID 39334901) is 2-(4-chloroindol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-chloroindol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(4-chloroindol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide is Cc1cccnc1NC(=O)Cn1ccc2c(Cl)cccc21.
What is the InChIKey of 2-(4-chloroindol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide?
The InChIKey is IIUREEXGOIUQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-11-4-3-8-18-16(11)19-15(21)10-20-9-7-12-13(17)5-2-6-14(12)20/h2-9H,10H2,1H3,(H,18,19,21).
What are the key properties of 2-(4-chloroindol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide?
2-(4-chloroindol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide has a molecular weight of 299.76 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroindol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 39334901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).