4-[(5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl)amino]-N-[(E)-3-amino-3-iminoprop-1-enyl]-1-methylpyrrole-2-carboxamide

C14H19N7O2 — CID 135618191

IUPAC4-[(5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl)amino]-N-[(E)-3-amino-3-iminoprop-1-enyl]-1-methylpyrrole-2-carboxamide
SMILES[H]/N=C(N)/C=C/NC(=O)c1cc(NC(=O)C2CCC(N)=N2)cn1C
InChIInChI=1S/C14H19N7O2/c1-21-7-8(19-13(22)9-2-3-12(17)20-9)6-10(21)14(23)18-5-4-11(15)16/h4-7,9H,2-3H2,1H3,(H3,15,16)(H2,17,20)(H,18,23)(H,19,22)/b5-4+
InChIKeyLMRPWVAZPPSUES-SNAWJCMRSA-N
MW317.35 g/mol
LogP-0.34
Rot. Bonds5

About 4-[(5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl)amino]-N-[(E)-3-amino-3-iminoprop-1-enyl]-1-methylpyrrole-2-carboxamide

4-[(5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl)amino]-N-[(E)-3-amino-3-iminoprop-1-enyl]-1-methylpyrrole-2-carboxamide (PubChem CID 135618191) has the molecular formula C14H19N7O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-[(5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl)amino]-N-[(E)-3-amino-3-iminoprop-1-enyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[(5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl)amino]-N-[(E)-3-amino-3-iminoprop-1-enyl]-1-methylpyrrole-2-carboxamide
PubChem CID135618191
Molecular FormulaC14H19N7O2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Name4-[(5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl)amino]-N-[(E)-3-amino-3-iminoprop-1-enyl]-1-methylpyrrole-2-carboxamide
SMILES[H]/N=C(N)/C=C/NC(=O)c1cc(NC(=O)C2CCC(N)=N2)cn1C
InChIInChI=1S/C14H19N7O2/c1-21-7-8(19-13(22)9-2-3-12(17)20-9)6-10(21)14(23)18-5-4-11(15)16/h4-7,9H,2-3H2,1H3,(H3,15,16)(H2,17,20)(H,18,23)(H,19,22)/b5-4+
InChIKeyLMRPWVAZPPSUES-SNAWJCMRSA-N
XLogP-0.34
TPSA151.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 5-0.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[(5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl)amino]-N-[(E)-3-amino-3-iminoprop-1-enyl]-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 4-[(5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl)amino]-N-[(E)-3-amino-3-iminoprop-1-enyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-[(5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl)amino]-N-[(E)-3-amino-3-iminoprop-1-enyl]-1-methylpyrrole-2-carboxamide (CID 135618191) is 4-[(5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl)amino]-N-[(E)-3-amino-3-iminoprop-1-enyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[(5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl)amino]-N-[(E)-3-amino-3-iminoprop-1-enyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-[(5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl)amino]-N-[(E)-3-amino-3-iminoprop-1-enyl]-1-methylpyrrole-2-carboxamide is [H]/N=C(N)/C=C/NC(=O)c1cc(NC(=O)C2CCC(N)=N2)cn1C.
What is the InChIKey of 4-[(5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl)amino]-N-[(E)-3-amino-3-iminoprop-1-enyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is LMRPWVAZPPSUES-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H19N7O2/c1-21-7-8(19-13(22)9-2-3-12(17)20-9)6-10(21)14(23)18-5-4-11(15)16/h4-7,9H,2-3H2,1H3,(H3,15,16)(H2,17,20)(H,18,23)(H,19,22)/b5-4+.
What are the key properties of 4-[(5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl)amino]-N-[(E)-3-amino-3-iminoprop-1-enyl]-1-methylpyrrole-2-carboxamide?
4-[(5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl)amino]-N-[(E)-3-amino-3-iminoprop-1-enyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 317.35 g/mol, XLogP of -0.34, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl)amino]-N-[(E)-3-amino-3-iminoprop-1-enyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 135618191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).