N-(3-cyanophenyl)-3-(1H-indol-3-yl)propanamide

C18H15N3O — CID 2522746

IUPACN-(3-cyanophenyl)-3-(1H-indol-3-yl)propanamide
SMILESN#Cc1cccc(NC(=O)CCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C18H15N3O/c19-11-13-4-3-5-15(10-13)21-18(22)9-8-14-12-20-17-7-2-1-6-16(14)17/h1-7,10,12,20H,8-9H2,(H,21,22)
InChIKeyVNQQWPBSRWPCIC-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.61
Rot. Bonds4

About N-(3-cyanophenyl)-3-(1H-indol-3-yl)propanamide

N-(3-cyanophenyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 2522746) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(1H-indol-3-yl)propanamide
PubChem CID2522746
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC NameN-(3-cyanophenyl)-3-(1H-indol-3-yl)propanamide
SMILESN#Cc1cccc(NC(=O)CCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C18H15N3O/c19-11-13-4-3-5-15(10-13)21-18(22)9-8-14-12-20-17-7-2-1-6-16(14)17/h1-7,10,12,20H,8-9H2,(H,21,22)
InChIKeyVNQQWPBSRWPCIC-UHFFFAOYSA-N
XLogP3.61
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
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N-(2-cyanophenyl)-3-(1H-indol-3-yl)propanamide
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N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
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CID 43073730
N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
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3-(1H-indol-3-yl)-N-(4-methylsulfanylphenyl)propanamide
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3-(1H-indol-3-yl)-N-(2-methyl-4-pyridinyl)propanamide
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N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
N-[3-(1,3-dithian-2-yl)phenyl]-3-(1H-indol-3-yl)propanamide
CID 27842678
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-(1H-indol-3-yl)propanamide (CID 2522746) is N-(3-cyanophenyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(1H-indol-3-yl)propanamide is N#Cc1cccc(NC(=O)CCc2c[nH]c3ccccc23)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is VNQQWPBSRWPCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c19-11-13-4-3-5-15(10-13)21-18(22)9-8-14-12-20-17-7-2-1-6-16(14)17/h1-7,10,12,20H,8-9H2,(H,21,22).
What are the key properties of N-(3-cyanophenyl)-3-(1H-indol-3-yl)propanamide?
N-(3-cyanophenyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 289.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 2522746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).