N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide

C16H17N3O — CID 110689054

IUPACN-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
SMILESCc1ccc(C)n1CCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C16H17N3O/c1-12-6-7-13(2)19(12)9-8-16(20)18-15-5-3-4-14(10-15)11-17/h3-7,10H,8-9H2,1-2H3,(H,18,20)
InChIKeyXORHQOOGMKBBPN-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.01
Rot. Bonds4

About N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide

N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide (PubChem CID 110689054) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
PubChem CID110689054
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
SMILESCc1ccc(C)n1CCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C16H17N3O/c1-12-6-7-13(2)19(12)9-8-16(20)18-15-5-3-4-14(10-15)11-17/h3-7,10H,8-9H2,1-2H3,(H,18,20)
InChIKeyXORHQOOGMKBBPN-UHFFFAOYSA-N
XLogP3.01
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide (CID 110689054) is N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide is Cc1ccc(C)n1CCC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide?
The InChIKey is XORHQOOGMKBBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-12-6-7-13(2)19(12)9-8-16(20)18-15-5-3-4-14(10-15)11-17/h3-7,10H,8-9H2,1-2H3,(H,18,20).
What are the key properties of N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide?
N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide has a molecular weight of 267.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide is sourced from PubChem (CID 110689054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).