N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1H-pyrrol-3-yl)acetamide

C25H23N5O2 — CID 118607404

IUPACN-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1H-pyrrol-3-yl)acetamide
SMILESO=C(Cc1cc[nH]c1)Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CCC3)ccn1
InChIInChI=1S/C25H23N5O2/c31-20-8-4-7-19-23(20)25(28-18-5-2-1-3-6-18)24(29-19)17-10-12-27-21(14-17)30-22(32)13-16-9-11-26-15-16/h1-3,5-6,9-12,14-15,26,28-29H,4,7-8,13H2,(H,27,30,32)
InChIKeyNLGQIDQPMVYWBE-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.85
Rot. Bonds6

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

N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1H-pyrrol-3-yl)acetamide (PubChem CID 118607404) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1H-pyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1H-pyrrol-3-yl)acetamide
PubChem CID118607404
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC NameN-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1H-pyrrol-3-yl)acetamide
SMILESO=C(Cc1cc[nH]c1)Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CCC3)ccn1
InChIInChI=1S/C25H23N5O2/c31-20-8-4-7-19-23(20)25(28-18-5-2-1-3-6-18)24(29-19)17-10-12-27-21(14-17)30-22(32)13-16-9-11-26-15-16/h1-3,5-6,9-12,14-15,26,28-29H,4,7-8,13H2,(H,27,30,32)
InChIKeyNLGQIDQPMVYWBE-UHFFFAOYSA-N
XLogP4.85
TPSA102.67 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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]-2-(1H-pyrrol-3-yl)acetamide?
The IUPAC name of N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1H-pyrrol-3-yl)acetamide (CID 118607404) is N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1H-pyrrol-3-yl)acetamide.
What is the SMILES notation for N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1H-pyrrol-3-yl)acetamide?
The canonical SMILES for N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1H-pyrrol-3-yl)acetamide is O=C(Cc1cc[nH]c1)Nc1cc(-c2[nH]c3c(c2Nc2ccccc2)C(=O)CCC3)ccn1.
What is the InChIKey of N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1H-pyrrol-3-yl)acetamide?
The InChIKey is NLGQIDQPMVYWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c31-20-8-4-7-19-23(20)25(28-18-5-2-1-3-6-18)24(29-19)17-10-12-27-21(14-17)30-22(32)13-16-9-11-26-15-16/h1-3,5-6,9-12,14-15,26,28-29H,4,7-8,13H2,(H,27,30,32).
What are the key properties of N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1H-pyrrol-3-yl)acetamide?
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(1H-pyrrol-3-yl)acetamide has a molecular weight of 425.49 g/mol, XLogP of 4.85, 6 rotatable bonds, 4 hydrogen bond donors, and 4 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]-2-(1H-pyrrol-3-yl)acetamide is sourced from PubChem (CID 118607404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).