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

C24H23N3O5 — CID 25117836

IUPACN-[(2R)-2,3-dihydroxypropyl]-4-(2-hydroxyphenyl)-2-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccccc32)c(-c2ccccc2O)c1C(=O)NC[C@@H](O)CO
InChIInChI=1S/C24H23N3O5/c1-13-21(24(32)25-11-14(29)12-28)22(16-7-3-5-9-20(16)30)19(26-13)10-17-15-6-2-4-8-18(15)27-23(17)31/h2-10,14,26,28-30H,11-12H2,1H3,(H,25,32)(H,27,31)/b17-10-/t14-/m1/s1
InChIKeyVFQLBAIQGIKRSB-AYCSXLNKSA-N
MW433.46 g/mol
LogP2.27
Rot. Bonds6

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

N-[(2R)-2,3-dihydroxypropyl]-4-(2-hydroxyphenyl)-2-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide (PubChem CID 25117836) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is N-[(2R)-2,3-dihydroxypropyl]-4-(2-hydroxyphenyl)-2-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2,3-dihydroxypropyl]-4-(2-hydroxyphenyl)-2-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
PubChem CID25117836
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC NameN-[(2R)-2,3-dihydroxypropyl]-4-(2-hydroxyphenyl)-2-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccccc32)c(-c2ccccc2O)c1C(=O)NC[C@@H](O)CO
InChIInChI=1S/C24H23N3O5/c1-13-21(24(32)25-11-14(29)12-28)22(16-7-3-5-9-20(16)30)19(26-13)10-17-15-6-2-4-8-18(15)27-23(17)31/h2-10,14,26,28-30H,11-12H2,1H3,(H,25,32)(H,27,31)/b17-10-/t14-/m1/s1
InChIKeyVFQLBAIQGIKRSB-AYCSXLNKSA-N
XLogP2.27
TPSA134.68 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.46
LogP ≤ 52.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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 N-[(2R)-2,3-dihydroxypropyl]-4-(2-hydroxyphenyl)-2-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(2R)-2,3-dihydroxypropyl]-4-(2-hydroxyphenyl)-2-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide (CID 25117836) is N-[(2R)-2,3-dihydroxypropyl]-4-(2-hydroxyphenyl)-2-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(2R)-2,3-dihydroxypropyl]-4-(2-hydroxyphenyl)-2-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(2R)-2,3-dihydroxypropyl]-4-(2-hydroxyphenyl)-2-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide is Cc1[nH]c(/C=C2\C(=O)Nc3ccccc32)c(-c2ccccc2O)c1C(=O)NC[C@@H](O)CO.
What is the InChIKey of N-[(2R)-2,3-dihydroxypropyl]-4-(2-hydroxyphenyl)-2-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is VFQLBAIQGIKRSB-AYCSXLNKSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-13-21(24(32)25-11-14(29)12-28)22(16-7-3-5-9-20(16)30)19(26-13)10-17-15-6-2-4-8-18(15)27-23(17)31/h2-10,14,26,28-30H,11-12H2,1H3,(H,25,32)(H,27,31)/b17-10-/t14-/m1/s1.
What are the key properties of N-[(2R)-2,3-dihydroxypropyl]-4-(2-hydroxyphenyl)-2-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide?
N-[(2R)-2,3-dihydroxypropyl]-4-(2-hydroxyphenyl)-2-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 433.46 g/mol, XLogP of 2.27, 6 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2,3-dihydroxypropyl]-4-(2-hydroxyphenyl)-2-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 25117836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).