N-[3-(dimethylamino)propyl]-1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[5-(methylamino)thiophene-3-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide

C29H37N9O4S — CID 3009879

IUPACN-[3-(dimethylamino)propyl]-1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[5-(methylamino)thiophene-3-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide
SMILESCNc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCCN(C)C)n(C)c4)n(C)c3)n(C)c2)cs1
InChIInChI=1S/C29H37N9O4S/c1-30-25-10-18(17-43-25)26(39)32-19-12-23(37(5)14-19)28(41)34-21-13-24(38(6)16-21)29(42)33-20-11-22(36(4)15-20)27(40)31-8-7-9-35(2)3/h10-17,30H,7-9H2,1-6H3,(H,31,40)(H,32,39)(H,33,42)(H,34,41)
InChIKeyQRIZKUNJSLCVST-UHFFFAOYSA-N
MW607.74 g/mol
LogP3.24
Rot. Bonds12

About N-[3-(dimethylamino)propyl]-1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[5-(methylamino)thiophene-3-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide

N-[3-(dimethylamino)propyl]-1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[5-(methylamino)thiophene-3-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide (PubChem CID 3009879) has the molecular formula C29H37N9O4S and a molecular weight of 607.74 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[5-(methylamino)thiophene-3-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[5-(methylamino)thiophene-3-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide
PubChem CID3009879
Molecular FormulaC29H37N9O4S
Molecular Weight607.74 g/mol
Exact Mass607.27
IUPAC NameN-[3-(dimethylamino)propyl]-1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[5-(methylamino)thiophene-3-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide
SMILESCNc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCCN(C)C)n(C)c4)n(C)c3)n(C)c2)cs1
InChIInChI=1S/C29H37N9O4S/c1-30-25-10-18(17-43-25)26(39)32-19-12-23(37(5)14-19)28(41)34-21-13-24(38(6)16-21)29(42)33-20-11-22(36(4)15-20)27(40)31-8-7-9-35(2)3/h10-17,30H,7-9H2,1-6H3,(H,31,40)(H,32,39)(H,33,42)(H,34,41)
InChIKeyQRIZKUNJSLCVST-UHFFFAOYSA-N
XLogP3.24
TPSA146.46 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.74
LogP ≤ 53.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylamino)propyl]-1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[5-(methylamino)thiophene-3-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-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-[3-(dimethylamino)propyl]-1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[5-(methylamino)thiophene-3-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[5-(methylamino)thiophene-3-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide (CID 3009879) is N-[3-(dimethylamino)propyl]-1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[5-(methylamino)thiophene-3-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[5-(methylamino)thiophene-3-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[5-(methylamino)thiophene-3-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide is CNc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCCN(C)C)n(C)c4)n(C)c3)n(C)c2)cs1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[5-(methylamino)thiophene-3-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide?
The InChIKey is QRIZKUNJSLCVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N9O4S/c1-30-25-10-18(17-43-25)26(39)32-19-12-23(37(5)14-19)28(41)34-21-13-24(38(6)16-21)29(42)33-20-11-22(36(4)15-20)27(40)31-8-7-9-35(2)3/h10-17,30H,7-9H2,1-6H3,(H,31,40)(H,32,39)(H,33,42)(H,34,41).
What are the key properties of N-[3-(dimethylamino)propyl]-1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[5-(methylamino)thiophene-3-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide?
N-[3-(dimethylamino)propyl]-1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[5-(methylamino)thiophene-3-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide has a molecular weight of 607.74 g/mol, XLogP of 3.24, 12 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[5-(methylamino)thiophene-3-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide is sourced from PubChem (CID 3009879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).