N-[2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-4-carboxamide

C20H22N4O4 — CID 29134927

IUPACN-[2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-4-carboxamide
SMILESCOc1ccc(N2C[C@@H](C(=O)NCCNC(=O)c3ccncc3)CC2=O)cc1
InChIInChI=1S/C20H22N4O4/c1-28-17-4-2-16(3-5-17)24-13-15(12-18(24)25)20(27)23-11-10-22-19(26)14-6-8-21-9-7-14/h2-9,15H,10-13H2,1H3,(H,22,26)(H,23,27)/t15-/m0/s1
InChIKeyBMNVVEXLYCZIBC-HNNXBMFYSA-N
MW382.42 g/mol
LogP0.99
Rot. Bonds7

About N-[2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-4-carboxamide

N-[2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-4-carboxamide (PubChem CID 29134927) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-4-carboxamide
PubChem CID29134927
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-[2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-4-carboxamide
SMILESCOc1ccc(N2C[C@@H](C(=O)NCCNC(=O)c3ccncc3)CC2=O)cc1
InChIInChI=1S/C20H22N4O4/c1-28-17-4-2-16(3-5-17)24-13-15(12-18(24)25)20(27)23-11-10-22-19(26)14-6-8-21-9-7-14/h2-9,15H,10-13H2,1H3,(H,22,26)(H,23,27)/t15-/m0/s1
InChIKeyBMNVVEXLYCZIBC-HNNXBMFYSA-N
XLogP0.99
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621
N-[2-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]-1H-indole-5-carboxamide
CID 29133184
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785674
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785660
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119408774
N-(3-formamidopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785659
(3R)-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 29128365
(3R)-1-(4-methoxyphenyl)-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide
CID 2174553
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
1-(3-chlorophenyl)-N-[2-[(3-methoxybenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42953112
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55735049

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-4-carboxamide (CID 29134927) is N-[2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-4-carboxamide is COc1ccc(N2C[C@@H](C(=O)NCCNC(=O)c3ccncc3)CC2=O)cc1.
What is the InChIKey of N-[2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-4-carboxamide?
The InChIKey is BMNVVEXLYCZIBC-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-28-17-4-2-16(3-5-17)24-13-15(12-18(24)25)20(27)23-11-10-22-19(26)14-6-8-21-9-7-14/h2-9,15H,10-13H2,1H3,(H,22,26)(H,23,27)/t15-/m0/s1.
What are the key properties of N-[2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-4-carboxamide?
N-[2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-4-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 29134927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).