N-(5-amino-2-methoxyphenyl)-2-(2-cyanopyrrol-1-yl)propanamide

C15H16N4O2 — CID 114650260

IUPACN-(5-amino-2-methoxyphenyl)-2-(2-cyanopyrrol-1-yl)propanamide
SMILESCOc1ccc(N)cc1NC(=O)C(C)n1cccc1C#N
InChIInChI=1S/C15H16N4O2/c1-10(19-7-3-4-12(19)9-16)15(20)18-13-8-11(17)5-6-14(13)21-2/h3-8,10H,17H2,1-2H3,(H,18,20)
InChIKeyMELXMMYQDNODOQ-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.15
Rot. Bonds4

About N-(5-amino-2-methoxyphenyl)-2-(2-cyanopyrrol-1-yl)propanamide

N-(5-amino-2-methoxyphenyl)-2-(2-cyanopyrrol-1-yl)propanamide (PubChem CID 114650260) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-2-(2-cyanopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-2-(2-cyanopyrrol-1-yl)propanamide
PubChem CID114650260
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-(5-amino-2-methoxyphenyl)-2-(2-cyanopyrrol-1-yl)propanamide
SMILESCOc1ccc(N)cc1NC(=O)C(C)n1cccc1C#N
InChIInChI=1S/C15H16N4O2/c1-10(19-7-3-4-12(19)9-16)15(20)18-13-8-11(17)5-6-14(13)21-2/h3-8,10H,17H2,1-2H3,(H,18,20)
InChIKeyMELXMMYQDNODOQ-UHFFFAOYSA-N
XLogP2.15
TPSA93.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-2-(2-cyanopyrrol-1-yl)propanamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-2-(2-cyanopyrrol-1-yl)propanamide (CID 114650260) is N-(5-amino-2-methoxyphenyl)-2-(2-cyanopyrrol-1-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-2-(2-cyanopyrrol-1-yl)propanamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-2-(2-cyanopyrrol-1-yl)propanamide is COc1ccc(N)cc1NC(=O)C(C)n1cccc1C#N.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-2-(2-cyanopyrrol-1-yl)propanamide?
The InChIKey is MELXMMYQDNODOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10(19-7-3-4-12(19)9-16)15(20)18-13-8-11(17)5-6-14(13)21-2/h3-8,10H,17H2,1-2H3,(H,18,20).
What are the key properties of N-(5-amino-2-methoxyphenyl)-2-(2-cyanopyrrol-1-yl)propanamide?
N-(5-amino-2-methoxyphenyl)-2-(2-cyanopyrrol-1-yl)propanamide has a molecular weight of 284.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-2-(2-cyanopyrrol-1-yl)propanamide is sourced from PubChem (CID 114650260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).