5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrrole-3-carboxamide

C19H22N6O3 — CID 11246027

IUPAC5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrrole-3-carboxamide
SMILESCN(C)CCNC(=O)c1c[nH]c(/C=C2\C(=O)Nc3ccc(NC(N)=O)cc32)c1
InChIInChI=1S/C19H22N6O3/c1-25(2)6-5-21-17(26)11-7-13(22-10-11)9-15-14-8-12(23-19(20)28)3-4-16(14)24-18(15)27/h3-4,7-10,22H,5-6H2,1-2H3,(H,21,26)(H,24,27)(H3,20,23,28)/b15-9-
InChIKeyREJNNNBQXIZBJP-DHDCSXOGSA-N
MW382.42 g/mol
LogP1.29
Rot. Bonds6

About 5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrrole-3-carboxamide

5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrrole-3-carboxamide (PubChem CID 11246027) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrrole-3-carboxamide
PubChem CID11246027
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrrole-3-carboxamide
SMILESCN(C)CCNC(=O)c1c[nH]c(/C=C2\C(=O)Nc3ccc(NC(N)=O)cc32)c1
InChIInChI=1S/C19H22N6O3/c1-25(2)6-5-21-17(26)11-7-13(22-10-11)9-15-14-8-12(23-19(20)28)3-4-16(14)24-18(15)27/h3-4,7-10,22H,5-6H2,1-2H3,(H,21,26)(H,24,27)(H3,20,23,28)/b15-9-
InChIKeyREJNNNBQXIZBJP-DHDCSXOGSA-N
XLogP1.29
TPSA132.35 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrrole-3-carboxamide (CID 11246027) is 5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrrole-3-carboxamide is CN(C)CCNC(=O)c1c[nH]c(/C=C2\C(=O)Nc3ccc(NC(N)=O)cc32)c1.
What is the InChIKey of 5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrrole-3-carboxamide?
The InChIKey is REJNNNBQXIZBJP-DHDCSXOGSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-25(2)6-5-21-17(26)11-7-13(22-10-11)9-15-14-8-12(23-19(20)28)3-4-16(14)24-18(15)27/h3-4,7-10,22H,5-6H2,1-2H3,(H,21,26)(H,24,27)(H3,20,23,28)/b15-9-.
What are the key properties of 5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrrole-3-carboxamide?
5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrrole-3-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 1.29, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(dimethylamino)ethyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 11246027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).