N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-3-methoxypropanehydrazide

C16H18N4O3 — CID 42597308

IUPACN'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-3-methoxypropanehydrazide
SMILESCOCCC(=O)NNc1[nH]c(-c2ccc(OC)cc2)cc1C#N
InChIInChI=1S/C16H18N4O3/c1-22-8-7-15(21)19-20-16-12(10-17)9-14(18-16)11-3-5-13(23-2)6-4-11/h3-6,9,18,20H,7-8H2,1-2H3,(H,19,21)
InChIKeyDDQGAQLOUOGDNH-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.04
Rot. Bonds7

About N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-3-methoxypropanehydrazide

N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-3-methoxypropanehydrazide (PubChem CID 42597308) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-3-methoxypropanehydrazide.

Molecular Properties

Compound NameN'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-3-methoxypropanehydrazide
PubChem CID42597308
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-3-methoxypropanehydrazide
SMILESCOCCC(=O)NNc1[nH]c(-c2ccc(OC)cc2)cc1C#N
InChIInChI=1S/C16H18N4O3/c1-22-8-7-15(21)19-20-16-12(10-17)9-14(18-16)11-3-5-13(23-2)6-4-11/h3-6,9,18,20H,7-8H2,1-2H3,(H,19,21)
InChIKeyDDQGAQLOUOGDNH-UHFFFAOYSA-N
XLogP2.04
TPSA99.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-3-methoxypropanehydrazide?
The IUPAC name of N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-3-methoxypropanehydrazide (CID 42597308) is N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-3-methoxypropanehydrazide.
What is the SMILES notation for N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-3-methoxypropanehydrazide?
The canonical SMILES for N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-3-methoxypropanehydrazide is COCCC(=O)NNc1[nH]c(-c2ccc(OC)cc2)cc1C#N.
What is the InChIKey of N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-3-methoxypropanehydrazide?
The InChIKey is DDQGAQLOUOGDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-22-8-7-15(21)19-20-16-12(10-17)9-14(18-16)11-3-5-13(23-2)6-4-11/h3-6,9,18,20H,7-8H2,1-2H3,(H,19,21).
What are the key properties of N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-3-methoxypropanehydrazide?
N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-3-methoxypropanehydrazide has a molecular weight of 314.35 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-3-methoxypropanehydrazide is sourced from PubChem (CID 42597308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).