3-anilino-1-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-indol-4-one;3-(3-anilino-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indol-1-yl)propanamide

C44H45N7O4 — CID 118607015

IUPAC3-anilino-1-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-indol-4-one;3-(3-anilino-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indol-1-yl)propanamide
SMILESNC(=O)CCn1c2c(c(Nc3ccccc3)c1-c1ccncc1)C(=O)CCC2.O=C1CCCc2c1c(Nc1ccccc1)c(-c1ccncc1)n2CCCO
InChIInChI=1S/C22H22N4O2.C22H23N3O2/c23-19(28)11-14-26-17-7-4-8-18(27)20(17)21(25-16-5-2-1-3-6-16)22(26)15-9-12-24-13-10-15;26-15-5-14-25-18-8-4-9-19(27)20(18)21(24-17-6-2-1-3-7-17)22(25)16-10-12-23-13-11-16/h1-3,5-6,9-10,12-13,25H,4,7-8,11,14H2,(H2,23,28);1-3,6-7,10-13,24,26H,4-5,8-9,14-15H2
InChIKeyFUARPFRMLGJFIA-UHFFFAOYSA-N
MW735.89 g/mol
LogP7.88
Rot. Bonds12

About 3-anilino-1-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-indol-4-one;3-(3-anilino-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indol-1-yl)propanamide

3-anilino-1-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-indol-4-one;3-(3-anilino-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indol-1-yl)propanamide (PubChem CID 118607015) has the molecular formula C44H45N7O4 and a molecular weight of 735.89 g/mol. Its IUPAC name is 3-anilino-1-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-indol-4-one;3-(3-anilino-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indol-1-yl)propanamide.

Molecular Properties

Compound Name3-anilino-1-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-indol-4-one;3-(3-anilino-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indol-1-yl)propanamide
PubChem CID118607015
Molecular FormulaC44H45N7O4
Molecular Weight735.89 g/mol
Exact Mass735.35
IUPAC Name3-anilino-1-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-indol-4-one;3-(3-anilino-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indol-1-yl)propanamide
SMILESNC(=O)CCn1c2c(c(Nc3ccccc3)c1-c1ccncc1)C(=O)CCC2.O=C1CCCc2c1c(Nc1ccccc1)c(-c1ccncc1)n2CCCO
InChIInChI=1S/C22H22N4O2.C22H23N3O2/c23-19(28)11-14-26-17-7-4-8-18(27)20(17)21(25-16-5-2-1-3-6-16)22(26)15-9-12-24-13-10-15;26-15-5-14-25-18-8-4-9-19(27)20(18)21(24-17-6-2-1-3-7-17)22(25)16-10-12-23-13-11-16/h1-3,5-6,9-10,12-13,25H,4,7-8,11,14H2,(H2,23,28);1-3,6-7,10-13,24,26H,4-5,8-9,14-15H2
InChIKeyFUARPFRMLGJFIA-UHFFFAOYSA-N
XLogP7.88
TPSA157.16 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.89
LogP ≤ 57.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 3-anilino-1-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-indol-4-one;3-(3-anilino-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indol-1-yl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-indol-4-one;3-(3-anilino-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indol-1-yl)propanamide?
The IUPAC name of 3-anilino-1-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-indol-4-one;3-(3-anilino-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indol-1-yl)propanamide (CID 118607015) is 3-anilino-1-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-indol-4-one;3-(3-anilino-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indol-1-yl)propanamide.
What is the SMILES notation for 3-anilino-1-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-indol-4-one;3-(3-anilino-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indol-1-yl)propanamide?
The canonical SMILES for 3-anilino-1-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-indol-4-one;3-(3-anilino-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indol-1-yl)propanamide is NC(=O)CCn1c2c(c(Nc3ccccc3)c1-c1ccncc1)C(=O)CCC2.O=C1CCCc2c1c(Nc1ccccc1)c(-c1ccncc1)n2CCCO.
What is the InChIKey of 3-anilino-1-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-indol-4-one;3-(3-anilino-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indol-1-yl)propanamide?
The InChIKey is FUARPFRMLGJFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2.C22H23N3O2/c23-19(28)11-14-26-17-7-4-8-18(27)20(17)21(25-16-5-2-1-3-6-16)22(26)15-9-12-24-13-10-15;26-15-5-14-25-18-8-4-9-19(27)20(18)21(24-17-6-2-1-3-7-17)22(25)16-10-12-23-13-11-16/h1-3,5-6,9-10,12-13,25H,4,7-8,11,14H2,(H2,23,28);1-3,6-7,10-13,24,26H,4-5,8-9,14-15H2.
What are the key properties of 3-anilino-1-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-indol-4-one;3-(3-anilino-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indol-1-yl)propanamide?
3-anilino-1-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-indol-4-one;3-(3-anilino-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indol-1-yl)propanamide has a molecular weight of 735.89 g/mol, XLogP of 7.88, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-(3-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydro-5H-indol-4-one;3-(3-anilino-4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-indol-1-yl)propanamide is sourced from PubChem (CID 118607015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).