N-[3-(dimethylamino)propyl]-1-ethyl-4-[[4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]imidazole-2-carboxamide

C24H33N9O4 — CID 11785550

IUPACN-[3-(dimethylamino)propyl]-1-ethyl-4-[[4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]imidazole-2-carboxamide
SMILESCCn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)nc1C(=O)NCCCN(C)C
InChIInChI=1S/C24H33N9O4/c1-6-33-14-20(28-21(33)24(37)25-8-7-9-30(2)3)29-23(36)19-11-17(13-32(19)5)27-22(35)18-10-16(26-15-34)12-31(18)4/h10-15H,6-9H2,1-5H3,(H,25,37)(H,26,34)(H,27,35)(H,29,36)
InChIKeyOKRHMEQKJOXUPS-UHFFFAOYSA-N
MW511.59 g/mol
LogP1.33
Rot. Bonds12

About N-[3-(dimethylamino)propyl]-1-ethyl-4-[[4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]imidazole-2-carboxamide

N-[3-(dimethylamino)propyl]-1-ethyl-4-[[4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]imidazole-2-carboxamide (PubChem CID 11785550) has the molecular formula C24H33N9O4 and a molecular weight of 511.59 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-ethyl-4-[[4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-ethyl-4-[[4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]imidazole-2-carboxamide
PubChem CID11785550
Molecular FormulaC24H33N9O4
Molecular Weight511.59 g/mol
Exact Mass511.27
IUPAC NameN-[3-(dimethylamino)propyl]-1-ethyl-4-[[4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]imidazole-2-carboxamide
SMILESCCn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)nc1C(=O)NCCCN(C)C
InChIInChI=1S/C24H33N9O4/c1-6-33-14-20(28-21(33)24(37)25-8-7-9-30(2)3)29-23(36)19-11-17(13-32(19)5)27-22(35)18-10-16(26-15-34)12-31(18)4/h10-15H,6-9H2,1-5H3,(H,25,37)(H,26,34)(H,27,35)(H,29,36)
InChIKeyOKRHMEQKJOXUPS-UHFFFAOYSA-N
XLogP1.33
TPSA147.32 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.59
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-ethyl-4-[[4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]imidazole-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-ethyl-4-[[4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]imidazole-2-carboxamide (CID 11785550) is N-[3-(dimethylamino)propyl]-1-ethyl-4-[[4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]imidazole-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-ethyl-4-[[4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]imidazole-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-ethyl-4-[[4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]imidazole-2-carboxamide is CCn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)nc1C(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-ethyl-4-[[4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]imidazole-2-carboxamide?
The InChIKey is OKRHMEQKJOXUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N9O4/c1-6-33-14-20(28-21(33)24(37)25-8-7-9-30(2)3)29-23(36)19-11-17(13-32(19)5)27-22(35)18-10-16(26-15-34)12-31(18)4/h10-15H,6-9H2,1-5H3,(H,25,37)(H,26,34)(H,27,35)(H,29,36).
What are the key properties of N-[3-(dimethylamino)propyl]-1-ethyl-4-[[4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]imidazole-2-carboxamide?
N-[3-(dimethylamino)propyl]-1-ethyl-4-[[4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]imidazole-2-carboxamide has a molecular weight of 511.59 g/mol, XLogP of 1.33, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-ethyl-4-[[4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]imidazole-2-carboxamide is sourced from PubChem (CID 11785550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).