4-(3-aminophenyl)-N-[(2R)-2,3-dihydroxypropyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide

C24H24N4O4 — CID 69174107

IUPAC4-(3-aminophenyl)-N-[(2R)-2,3-dihydroxypropyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(C=C2C(=O)Nc3ccccc32)c(-c2cccc(N)c2)c1C(=O)NC[C@@H](O)CO
InChIInChI=1S/C24H24N4O4/c1-13-21(24(32)26-11-16(30)12-29)22(14-5-4-6-15(25)9-14)20(27-13)10-18-17-7-2-3-8-19(17)28-23(18)31/h2-10,16,27,29-30H,11-12,25H2,1H3,(H,26,32)(H,28,31)/t16-/m1/s1
InChIKeyPVLWQFKCSAQXOM-MRXNPFEDSA-N
MW432.48 g/mol
LogP2.15
Rot. Bonds6

About 4-(3-aminophenyl)-N-[(2R)-2,3-dihydroxypropyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide

4-(3-aminophenyl)-N-[(2R)-2,3-dihydroxypropyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide (PubChem CID 69174107) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-(3-aminophenyl)-N-[(2R)-2,3-dihydroxypropyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(3-aminophenyl)-N-[(2R)-2,3-dihydroxypropyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
PubChem CID69174107
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name4-(3-aminophenyl)-N-[(2R)-2,3-dihydroxypropyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(C=C2C(=O)Nc3ccccc32)c(-c2cccc(N)c2)c1C(=O)NC[C@@H](O)CO
InChIInChI=1S/C24H24N4O4/c1-13-21(24(32)26-11-16(30)12-29)22(14-5-4-6-15(25)9-14)20(27-13)10-18-17-7-2-3-8-19(17)28-23(18)31/h2-10,16,27,29-30H,11-12,25H2,1H3,(H,26,32)(H,28,31)/t16-/m1/s1
InChIKeyPVLWQFKCSAQXOM-MRXNPFEDSA-N
XLogP2.15
TPSA140.47 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 52.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-N-[(2R)-2,3-dihydroxypropyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-(3-aminophenyl)-N-[(2R)-2,3-dihydroxypropyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide (CID 69174107) is 4-(3-aminophenyl)-N-[(2R)-2,3-dihydroxypropyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-(3-aminophenyl)-N-[(2R)-2,3-dihydroxypropyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-(3-aminophenyl)-N-[(2R)-2,3-dihydroxypropyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide is Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(-c2cccc(N)c2)c1C(=O)NC[C@@H](O)CO.
What is the InChIKey of 4-(3-aminophenyl)-N-[(2R)-2,3-dihydroxypropyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is PVLWQFKCSAQXOM-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-13-21(24(32)26-11-16(30)12-29)22(14-5-4-6-15(25)9-14)20(27-13)10-18-17-7-2-3-8-19(17)28-23(18)31/h2-10,16,27,29-30H,11-12,25H2,1H3,(H,26,32)(H,28,31)/t16-/m1/s1.
What are the key properties of 4-(3-aminophenyl)-N-[(2R)-2,3-dihydroxypropyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide?
4-(3-aminophenyl)-N-[(2R)-2,3-dihydroxypropyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 2.15, 6 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-N-[(2R)-2,3-dihydroxypropyl]-2-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 69174107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).