N-[4-[(4-hydrazinyl-4-oxobutanoyl)amino]phenyl]-1H-pyrrole-2-carboxamide

C15H17N5O3 — CID 118704672

IUPACN-[4-[(4-hydrazinyl-4-oxobutanoyl)amino]phenyl]-1H-pyrrole-2-carboxamide
SMILESNNC(=O)CCC(=O)Nc1ccc(NC(=O)c2ccc[nH]2)cc1
InChIInChI=1S/C15H17N5O3/c16-20-14(22)8-7-13(21)18-10-3-5-11(6-4-10)19-15(23)12-2-1-9-17-12/h1-6,9,17H,7-8,16H2,(H,18,21)(H,19,23)(H,20,22)
InChIKeyQHONHOIMIIEPTM-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.98
Rot. Bonds6

About N-[4-[(4-hydrazinyl-4-oxobutanoyl)amino]phenyl]-1H-pyrrole-2-carboxamide

N-[4-[(4-hydrazinyl-4-oxobutanoyl)amino]phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 118704672) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[4-[(4-hydrazinyl-4-oxobutanoyl)amino]phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-hydrazinyl-4-oxobutanoyl)amino]phenyl]-1H-pyrrole-2-carboxamide
PubChem CID118704672
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC NameN-[4-[(4-hydrazinyl-4-oxobutanoyl)amino]phenyl]-1H-pyrrole-2-carboxamide
SMILESNNC(=O)CCC(=O)Nc1ccc(NC(=O)c2ccc[nH]2)cc1
InChIInChI=1S/C15H17N5O3/c16-20-14(22)8-7-13(21)18-10-3-5-11(6-4-10)19-15(23)12-2-1-9-17-12/h1-6,9,17H,7-8,16H2,(H,18,21)(H,19,23)(H,20,22)
InChIKeyQHONHOIMIIEPTM-UHFFFAOYSA-N
XLogP0.98
TPSA129.11 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-hydrazinyl-4-oxobutanoyl)amino]phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[4-[(4-hydrazinyl-4-oxobutanoyl)amino]phenyl]-1H-pyrrole-2-carboxamide (CID 118704672) is N-[4-[(4-hydrazinyl-4-oxobutanoyl)amino]phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[4-[(4-hydrazinyl-4-oxobutanoyl)amino]phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[4-[(4-hydrazinyl-4-oxobutanoyl)amino]phenyl]-1H-pyrrole-2-carboxamide is NNC(=O)CCC(=O)Nc1ccc(NC(=O)c2ccc[nH]2)cc1.
What is the InChIKey of N-[4-[(4-hydrazinyl-4-oxobutanoyl)amino]phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is QHONHOIMIIEPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c16-20-14(22)8-7-13(21)18-10-3-5-11(6-4-10)19-15(23)12-2-1-9-17-12/h1-6,9,17H,7-8,16H2,(H,18,21)(H,19,23)(H,20,22).
What are the key properties of N-[4-[(4-hydrazinyl-4-oxobutanoyl)amino]phenyl]-1H-pyrrole-2-carboxamide?
N-[4-[(4-hydrazinyl-4-oxobutanoyl)amino]phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 0.98, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-hydrazinyl-4-oxobutanoyl)amino]phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 118704672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).