N-formyl-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-2-(6-pyridin-3-yl-3-pyridinyl)propanamide

C24H22N4O4 — CID 118927879

IUPACN-formyl-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-2-(6-pyridin-3-yl-3-pyridinyl)propanamide
SMILESCOc1ccc2c(c1)C(=O)N(CC(C)(C(=O)NC=O)c1ccc(-c3cccnc3)nc1)C2
InChIInChI=1S/C24H22N4O4/c1-24(23(31)27-15-29,18-6-8-21(26-12-18)16-4-3-9-25-11-16)14-28-13-17-5-7-19(32-2)10-20(17)22(28)30/h3-12,15H,13-14H2,1-2H3,(H,27,29,31)
InChIKeyVIQPVNUPBWZRBF-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.34
Rot. Bonds7

About N-formyl-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-2-(6-pyridin-3-yl-3-pyridinyl)propanamide

N-formyl-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-2-(6-pyridin-3-yl-3-pyridinyl)propanamide (PubChem CID 118927879) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-formyl-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-2-(6-pyridin-3-yl-3-pyridinyl)propanamide.

Molecular Properties

Compound NameN-formyl-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-2-(6-pyridin-3-yl-3-pyridinyl)propanamide
PubChem CID118927879
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC NameN-formyl-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-2-(6-pyridin-3-yl-3-pyridinyl)propanamide
SMILESCOc1ccc2c(c1)C(=O)N(CC(C)(C(=O)NC=O)c1ccc(-c3cccnc3)nc1)C2
InChIInChI=1S/C24H22N4O4/c1-24(23(31)27-15-29,18-6-8-21(26-12-18)16-4-3-9-25-11-16)14-28-13-17-5-7-19(32-2)10-20(17)22(28)30/h3-12,15H,13-14H2,1-2H3,(H,27,29,31)
InChIKeyVIQPVNUPBWZRBF-UHFFFAOYSA-N
XLogP2.34
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-formyl-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-2-(6-pyridin-3-yl-3-pyridinyl)propanamide?
The IUPAC name of N-formyl-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-2-(6-pyridin-3-yl-3-pyridinyl)propanamide (CID 118927879) is N-formyl-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-2-(6-pyridin-3-yl-3-pyridinyl)propanamide.
What is the SMILES notation for N-formyl-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-2-(6-pyridin-3-yl-3-pyridinyl)propanamide?
The canonical SMILES for N-formyl-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-2-(6-pyridin-3-yl-3-pyridinyl)propanamide is COc1ccc2c(c1)C(=O)N(CC(C)(C(=O)NC=O)c1ccc(-c3cccnc3)nc1)C2.
What is the InChIKey of N-formyl-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-2-(6-pyridin-3-yl-3-pyridinyl)propanamide?
The InChIKey is VIQPVNUPBWZRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-24(23(31)27-15-29,18-6-8-21(26-12-18)16-4-3-9-25-11-16)14-28-13-17-5-7-19(32-2)10-20(17)22(28)30/h3-12,15H,13-14H2,1-2H3,(H,27,29,31).
What are the key properties of N-formyl-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-2-(6-pyridin-3-yl-3-pyridinyl)propanamide?
N-formyl-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-2-(6-pyridin-3-yl-3-pyridinyl)propanamide has a molecular weight of 430.46 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-3-(5-methoxy-3-oxo-1H-isoindol-2-yl)-2-methyl-2-(6-pyridin-3-yl-3-pyridinyl)propanamide is sourced from PubChem (CID 118927879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).