N-(3-cyanophenyl)-2-(2-cyanopyrrol-1-yl)acetamide

C14H10N4O — CID 114650857

IUPACN-(3-cyanophenyl)-2-(2-cyanopyrrol-1-yl)acetamide
SMILESN#Cc1cccc(NC(=O)Cn2cccc2C#N)c1
InChIInChI=1S/C14H10N4O/c15-8-11-3-1-4-12(7-11)17-14(19)10-18-6-2-5-13(18)9-16/h1-7H,10H2,(H,17,19)
InChIKeyPGMVSGPNXXFWPZ-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.87
Rot. Bonds3

About N-(3-cyanophenyl)-2-(2-cyanopyrrol-1-yl)acetamide

N-(3-cyanophenyl)-2-(2-cyanopyrrol-1-yl)acetamide (PubChem CID 114650857) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(2-cyanopyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(2-cyanopyrrol-1-yl)acetamide
PubChem CID114650857
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC NameN-(3-cyanophenyl)-2-(2-cyanopyrrol-1-yl)acetamide
SMILESN#Cc1cccc(NC(=O)Cn2cccc2C#N)c1
InChIInChI=1S/C14H10N4O/c15-8-11-3-1-4-12(7-11)17-14(19)10-18-6-2-5-13(18)9-16/h1-7H,10H2,(H,17,19)
InChIKeyPGMVSGPNXXFWPZ-UHFFFAOYSA-N
XLogP1.87
TPSA81.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)acetamide
CID 114650291
N-(3-cyanophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 61224567
N-(3-cyanophenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide
CID 112695469
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 734703
N-(3-cyanophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 9245501
N-(3-cyanophenyl)-3,3-dimethylbutanamide
CID 803129
N-tert-butyl-2-(2-cyanopyrrol-1-yl)acetamide
CID 114652595
N-butan-2-yl-2-(2-cyanopyrrol-1-yl)acetamide
CID 114652623
3-(tert-butylamino)-N-(3-cyanophenyl)propanamide
CID 60716477
N'-(3-cyanophenyl)-N-(3-methylbutyl)propanediamide
CID 108951873
N-(3-cyanophenyl)-2-(2-phenylethylamino)acetamide
CID 108999966

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(2-cyanopyrrol-1-yl)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(2-cyanopyrrol-1-yl)acetamide (CID 114650857) is N-(3-cyanophenyl)-2-(2-cyanopyrrol-1-yl)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(2-cyanopyrrol-1-yl)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(2-cyanopyrrol-1-yl)acetamide is N#Cc1cccc(NC(=O)Cn2cccc2C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(2-cyanopyrrol-1-yl)acetamide?
The InChIKey is PGMVSGPNXXFWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c15-8-11-3-1-4-12(7-11)17-14(19)10-18-6-2-5-13(18)9-16/h1-7H,10H2,(H,17,19).
What are the key properties of N-(3-cyanophenyl)-2-(2-cyanopyrrol-1-yl)acetamide?
N-(3-cyanophenyl)-2-(2-cyanopyrrol-1-yl)acetamide has a molecular weight of 250.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(2-cyanopyrrol-1-yl)acetamide is sourced from PubChem (CID 114650857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).