2-(4-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide

C15H15N3O — CID 107919052

IUPAC2-(4-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide
SMILESN#Cc1cccc2c1ccn2CC(=O)NCC1CC1
InChIInChI=1S/C15H15N3O/c16-8-12-2-1-3-14-13(12)6-7-18(14)10-15(19)17-9-11-4-5-11/h1-3,6-7,11H,4-5,9-10H2,(H,17,19)
InChIKeyFPBDBCGJKLVNJD-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.04
Rot. Bonds4

About 2-(4-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide

2-(4-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide (PubChem CID 107919052) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(4-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide
PubChem CID107919052
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-(4-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide
SMILESN#Cc1cccc2c1ccn2CC(=O)NCC1CC1
InChIInChI=1S/C15H15N3O/c16-8-12-2-1-3-14-13(12)6-7-18(14)10-15(19)17-9-11-4-5-11/h1-3,6-7,11H,4-5,9-10H2,(H,17,19)
InChIKeyFPBDBCGJKLVNJD-UHFFFAOYSA-N
XLogP2.04
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanoindol-1-yl)-N-(cyanomethyl)acetamide
CID 114015835
2-(4-chloroindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 116623818
2-(4-cyanoindol-1-yl)acetic acid
CID 28947083
2-(4-cyanoindol-1-yl)-N-pentan-3-ylacetamide
CID 107919141
2-(4-cyanoindol-1-yl)-N-pentan-2-ylacetamide
CID 107919108
2-(5-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 107920232
3-(4-cyanoindol-1-yl)propanehydrazide
CID 107919610
2-(3-cyanoindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 2912319
1-[2-(2-chlorophenyl)-2-oxoethyl]indole-4-carbonitrile
CID 107918801
1-(3-methyl-2-oxopentyl)indole-4-carbonitrile
CID 107918780
N-benzyl-2-(3-cyanoindol-1-yl)acetamide
CID 668666
1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]indole-4-carbonitrile
CID 107918805

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-(4-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide (CID 107919052) is 2-(4-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(4-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-(4-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide is N#Cc1cccc2c1ccn2CC(=O)NCC1CC1.
What is the InChIKey of 2-(4-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide?
The InChIKey is FPBDBCGJKLVNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-8-12-2-1-3-14-13(12)6-7-18(14)10-15(19)17-9-11-4-5-11/h1-3,6-7,11H,4-5,9-10H2,(H,17,19).
What are the key properties of 2-(4-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide?
2-(4-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide has a molecular weight of 253.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 107919052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).