N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide

C19H25N3O4 — CID 55414805

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
SMILESCc1cc(C)c(CNC(=O)CCN2C(=O)C3CCCCC3C2=O)c(=O)[nH]1
InChIInChI=1S/C19H25N3O4/c1-11-9-12(2)21-17(24)15(11)10-20-16(23)7-8-22-18(25)13-5-3-4-6-14(13)19(22)26/h9,13-14H,3-8,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyLEQVBMUJXBGSKD-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.17
Rot. Bonds5

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide (PubChem CID 55414805) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
PubChem CID55414805
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
SMILESCc1cc(C)c(CNC(=O)CCN2C(=O)C3CCCCC3C2=O)c(=O)[nH]1
InChIInChI=1S/C19H25N3O4/c1-11-9-12(2)21-17(24)15(11)10-20-16(23)7-8-22-18(25)13-5-3-4-6-14(13)19(22)26/h9,13-14H,3-8,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyLEQVBMUJXBGSKD-UHFFFAOYSA-N
XLogP1.17
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide (CID 55414805) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide is Cc1cc(C)c(CNC(=O)CCN2C(=O)C3CCCCC3C2=O)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide?
The InChIKey is LEQVBMUJXBGSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-11-9-12(2)21-17(24)15(11)10-20-16(23)7-8-22-18(25)13-5-3-4-6-14(13)19(22)26/h9,13-14H,3-8,10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide has a molecular weight of 359.43 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide is sourced from PubChem (CID 55414805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).