(2S)-N-[5-(dimethylamino)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)propanamide

C18H18N4O3 — CID 96510144

IUPAC(2S)-N-[5-(dimethylamino)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(N(C)C)cn1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H18N4O3/c1-11(16(23)20-15-9-8-12(10-19-15)21(2)3)22-17(24)13-6-4-5-7-14(13)18(22)25/h4-11H,1-3H3,(H,19,20,23)/t11-/m0/s1
InChIKeyDYZCOYGUUORPIK-NSHDSACASA-N
MW338.37 g/mol
LogP1.77
Rot. Bonds4

About (2S)-N-[5-(dimethylamino)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)propanamide

(2S)-N-[5-(dimethylamino)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 96510144) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is (2S)-N-[5-(dimethylamino)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[5-(dimethylamino)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID96510144
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name(2S)-N-[5-(dimethylamino)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(N(C)C)cn1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H18N4O3/c1-11(16(23)20-15-9-8-12(10-19-15)21(2)3)22-17(24)13-6-4-5-7-14(13)18(22)25/h4-11H,1-3H3,(H,19,20,23)/t11-/m0/s1
InChIKeyDYZCOYGUUORPIK-NSHDSACASA-N
XLogP1.77
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]benzamide
CID 108540337
(2S)-N-(2,6-diethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 1189020
2-(1,3-dioxoisoindol-2-yl)propanehydrazide
CID 23761283
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-ylpropanamide
CID 738623
N-[2-(dimethylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 19165323
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 680388
N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 3109173
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylphenyl)propanamide
CID 16546107
(2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7104334
(2S)-N-[4-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 8917851
2-(4,4-dichloro-3-oxobutan-2-yl)isoindole-1,3-dione
CID 18704328
2-amino-N-[5-(dimethylamino)-2-pyridinyl]-2-methylpropanamide;dihydrochloride
CID 119863152

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(dimethylamino)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of (2S)-N-[5-(dimethylamino)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)propanamide (CID 96510144) is (2S)-N-[5-(dimethylamino)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for (2S)-N-[5-(dimethylamino)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for (2S)-N-[5-(dimethylamino)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)propanamide is C[C@@H](C(=O)Nc1ccc(N(C)C)cn1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2S)-N-[5-(dimethylamino)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is DYZCOYGUUORPIK-NSHDSACASA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11(16(23)20-15-9-8-12(10-19-15)21(2)3)22-17(24)13-6-4-5-7-14(13)18(22)25/h4-11H,1-3H3,(H,19,20,23)/t11-/m0/s1.
What are the key properties of (2S)-N-[5-(dimethylamino)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
(2S)-N-[5-(dimethylamino)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 338.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(dimethylamino)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 96510144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).