N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]pyridine-2-carboxamide

C21H24N4O3 — CID 126569478

IUPACN-[(2,6-dimethyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]pyridine-2-carboxamide
SMILESCc1cc(CNC(=O)c2ccc([C@@H](C)[C@]3(C)CC(=O)NC3=O)cn2)cc(C)n1
InChIInChI=1S/C21H24N4O3/c1-12-7-15(8-13(2)24-12)10-23-19(27)17-6-5-16(11-22-17)14(3)21(4)9-18(26)25-20(21)28/h5-8,11,14H,9-10H2,1-4H3,(H,23,27)(H,25,26,28)/t14-,21+/m1/s1
InChIKeyWEZJACOFKXDXKR-SZNDQCEHSA-N
MW380.45 g/mol
LogP2.18
Rot. Bonds5

About N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]pyridine-2-carboxamide

N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]pyridine-2-carboxamide (PubChem CID 126569478) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,6-dimethyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]pyridine-2-carboxamide
PubChem CID126569478
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[(2,6-dimethyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]pyridine-2-carboxamide
SMILESCc1cc(CNC(=O)c2ccc([C@@H](C)[C@]3(C)CC(=O)NC3=O)cn2)cc(C)n1
InChIInChI=1S/C21H24N4O3/c1-12-7-15(8-13(2)24-12)10-23-19(27)17-6-5-16(11-22-17)14(3)21(4)9-18(26)25-20(21)28/h5-8,11,14H,9-10H2,1-4H3,(H,23,27)(H,25,26,28)/t14-,21+/m1/s1
InChIKeyWEZJACOFKXDXKR-SZNDQCEHSA-N
XLogP2.18
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-4-[1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]benzamide
CID 175048550
N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3R)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-2-carboxamide
CID 123132325
N-[(2-ethyl-6-methyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3R)-3-methyl-2-oxo-1H-pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-2-carboxamide
CID 126566726
3-[1-[4-[2-[(2,6-dimethyl-4-pyridinyl)oxy]ethyl]phenyl]ethyl]-3-methylpyrrolidine-2,5-dione
CID 142474472
5-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrazine-2-carboxamide
CID 107244703
5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100153
methyl 4-[[(5-methylpyrazine-2-carbonyl)amino]methyl]benzoate
CID 17443095
N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 167973392
5-amino-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide
CID 113381971
N-[(4-fluoro-3-methylphenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 24660078
N-[(6-methyl-3-pyridinyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712353
2-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 126826720

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]pyridine-2-carboxamide (CID 126569478) is N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]pyridine-2-carboxamide is Cc1cc(CNC(=O)c2ccc([C@@H](C)[C@]3(C)CC(=O)NC3=O)cn2)cc(C)n1.
What is the InChIKey of N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]pyridine-2-carboxamide?
The InChIKey is WEZJACOFKXDXKR-SZNDQCEHSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-12-7-15(8-13(2)24-12)10-23-19(27)17-6-5-16(11-22-17)14(3)21(4)9-18(26)25-20(21)28/h5-8,11,14H,9-10H2,1-4H3,(H,23,27)(H,25,26,28)/t14-,21+/m1/s1.
What are the key properties of N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]pyridine-2-carboxamide?
N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]pyridine-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-[(1R)-1-[(3S)-3-methyl-2,5-dioxopyrrolidin-3-yl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 126569478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).