N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide

C23H19N5O3 — CID 118606833

IUPACN-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CCC3)ccn1)c1cnco1
InChIInChI=1S/C23H19N5O3/c29-17-8-4-7-16-20(17)22(26-15-5-2-1-3-6-15)21(27-16)14-9-10-25-19(11-14)28-23(30)18-12-24-13-31-18/h1-3,5-6,9-13,26-27H,4,7-8H2,(H,25,28,30)
InChIKeyXAZRBBLQMVORAO-UHFFFAOYSA-N
MW413.44 g/mol
LogP4.58
Rot. Bonds5

About N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide

N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide (PubChem CID 118606833) has the molecular formula C23H19N5O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide
PubChem CID118606833
Molecular FormulaC23H19N5O3
Molecular Weight413.44 g/mol
Exact Mass413.15
IUPAC NameN-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide
SMILESO=C(Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CCC3)ccn1)c1cnco1
InChIInChI=1S/C23H19N5O3/c29-17-8-4-7-16-20(17)22(26-15-5-2-1-3-6-15)21(27-16)14-9-10-25-19(11-14)28-23(30)18-12-24-13-31-18/h1-3,5-6,9-13,26-27H,4,7-8H2,(H,25,28,30)
InChIKeyXAZRBBLQMVORAO-UHFFFAOYSA-N
XLogP4.58
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide (CID 118606833) is N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide is O=C(Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CCC3)ccn1)c1cnco1.
What is the InChIKey of N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide?
The InChIKey is XAZRBBLQMVORAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3/c29-17-8-4-7-16-20(17)22(26-15-5-2-1-3-6-15)21(27-16)14-9-10-25-19(11-14)28-23(30)18-12-24-13-31-18/h1-3,5-6,9-13,26-27H,4,7-8H2,(H,25,28,30).
What are the key properties of N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide?
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide has a molecular weight of 413.44 g/mol, XLogP of 4.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 118606833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).