N-[bis(dimethylamino)phosphoryl]-1-methylpyrrole-2-carboxamide

C10H19N4O2P — CID 4214155

IUPACN-[bis(dimethylamino)phosphoryl]-1-methylpyrrole-2-carboxamide
SMILESCN(C)P(=O)(NC(=O)c1cccn1C)N(C)C
InChIInChI=1S/C10H19N4O2P/c1-12(2)17(16,13(3)4)11-10(15)9-7-6-8-14(9)5/h6-8H,1-5H3,(H,11,15,16)
InChIKeyGBLGZPXGUNUISJ-UHFFFAOYSA-N
MW258.26 g/mol
LogP0.99
Rot. Bonds4

About N-[bis(dimethylamino)phosphoryl]-1-methylpyrrole-2-carboxamide

N-[bis(dimethylamino)phosphoryl]-1-methylpyrrole-2-carboxamide (PubChem CID 4214155) has the molecular formula C10H19N4O2P and a molecular weight of 258.26 g/mol. Its IUPAC name is N-[bis(dimethylamino)phosphoryl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[bis(dimethylamino)phosphoryl]-1-methylpyrrole-2-carboxamide
PubChem CID4214155
Molecular FormulaC10H19N4O2P
Molecular Weight258.26 g/mol
Exact Mass258.12
IUPAC NameN-[bis(dimethylamino)phosphoryl]-1-methylpyrrole-2-carboxamide
SMILESCN(C)P(=O)(NC(=O)c1cccn1C)N(C)C
InChIInChI=1S/C10H19N4O2P/c1-12(2)17(16,13(3)4)11-10(15)9-7-6-8-14(9)5/h6-8H,1-5H3,(H,11,15,16)
InChIKeyGBLGZPXGUNUISJ-UHFFFAOYSA-N
XLogP0.99
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[bis(dimethylamino)phosphoryl]-1-methylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[bis(dimethylamino)phosphoryl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[bis(dimethylamino)phosphoryl]-1-methylpyrrole-2-carboxamide (CID 4214155) is N-[bis(dimethylamino)phosphoryl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[bis(dimethylamino)phosphoryl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[bis(dimethylamino)phosphoryl]-1-methylpyrrole-2-carboxamide is CN(C)P(=O)(NC(=O)c1cccn1C)N(C)C.
What is the InChIKey of N-[bis(dimethylamino)phosphoryl]-1-methylpyrrole-2-carboxamide?
The InChIKey is GBLGZPXGUNUISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N4O2P/c1-12(2)17(16,13(3)4)11-10(15)9-7-6-8-14(9)5/h6-8H,1-5H3,(H,11,15,16).
What are the key properties of N-[bis(dimethylamino)phosphoryl]-1-methylpyrrole-2-carboxamide?
N-[bis(dimethylamino)phosphoryl]-1-methylpyrrole-2-carboxamide has a molecular weight of 258.26 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(dimethylamino)phosphoryl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 4214155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).