N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]pyridine-4-carboxamide

C20H20N4O4 — CID 108542672

IUPACN-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]pyridine-4-carboxamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NCCNC(=O)c1ccncc1
InChIInChI=1S/C20H20N4O4/c25-17(22-11-12-23-18(26)14-7-9-21-10-8-14)6-3-13-24-19(27)15-4-1-2-5-16(15)20(24)28/h1-2,4-5,7-10H,3,6,11-13H2,(H,22,25)(H,23,26)
InChIKeyRNDGMZGHWKFUIS-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.00
Rot. Bonds8

About N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]pyridine-4-carboxamide

N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]pyridine-4-carboxamide (PubChem CID 108542672) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]pyridine-4-carboxamide
PubChem CID108542672
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]pyridine-4-carboxamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NCCNC(=O)c1ccncc1
InChIInChI=1S/C20H20N4O4/c25-17(22-11-12-23-18(26)14-7-9-21-10-8-14)6-3-13-24-19(27)15-4-1-2-5-16(15)20(24)28/h1-2,4-5,7-10H,3,6,11-13H2,(H,22,25)(H,23,26)
InChIKeyRNDGMZGHWKFUIS-UHFFFAOYSA-N
XLogP1.00
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-4-methoxybenzamide
CID 108537858
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3-fluorobenzamide
CID 108542677
N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110756142
4-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methoxypropanoylamino)ethyl]butanamide
CID 108542668
4-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyethyl)butanamide
CID 19174379
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]-3,3-dimethylbutanamide
CID 108574012
N-[2-(2-chloropropanoylamino)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 108574020
4-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]butanamide
CID 108538869
3-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]propanamide
CID 119323792
4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 889544
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 108542670
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-(methylamino)butanamide
CID 119783914

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]pyridine-4-carboxamide (CID 108542672) is N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]pyridine-4-carboxamide is O=C(CCCN1C(=O)c2ccccc2C1=O)NCCNC(=O)c1ccncc1.
What is the InChIKey of N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]pyridine-4-carboxamide?
The InChIKey is RNDGMZGHWKFUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c25-17(22-11-12-23-18(26)14-7-9-21-10-8-14)6-3-13-24-19(27)15-4-1-2-5-16(15)20(24)28/h1-2,4-5,7-10H,3,6,11-13H2,(H,22,25)(H,23,26).
What are the key properties of N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]pyridine-4-carboxamide?
N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]pyridine-4-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 108542672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).