N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C22H28N4O2 — CID 131918137

IUPACN-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCc1cccnc1NCCNC(=O)C1CC(=O)N(c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C22H28N4O2/c1-15(2)17-6-8-19(9-7-17)26-14-18(13-20(26)27)22(28)25-12-11-24-21-16(3)5-4-10-23-21/h4-10,15,18H,11-14H2,1-3H3,(H,23,24)(H,25,28)
InChIKeyGJTYHARCRVGVAX-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.09
Rot. Bonds7

About N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 131918137) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID131918137
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCc1cccnc1NCCNC(=O)C1CC(=O)N(c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C22H28N4O2/c1-15(2)17-6-8-19(9-7-17)26-14-18(13-20(26)27)22(28)25-12-11-24-21-16(3)5-4-10-23-21/h4-10,15,18H,11-14H2,1-3H3,(H,23,24)(H,25,28)
InChIKeyGJTYHARCRVGVAX-UHFFFAOYSA-N
XLogP3.09
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-5-oxo-1-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 93018322
(3S)-N-(2-ethylsulfonylethyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 97156120
(3S)-1-(4-methylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 1088260
(3S)-1-(4-ethylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 1088262
(3S)-5-oxo-1-(4-propan-2-ylphenyl)-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 93018332
(3R)-5-oxo-1-(4-propan-2-ylphenyl)-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 93018331
(3S)-N-(3-methoxypropyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 93018312
N-(3-methoxypropyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46109954
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 72883984
(3S)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 95147317
(3S)-1-(4-butoxyphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 2293930
1-(2-ethylphenyl)-5-oxo-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrrolidine-3-carboxamide
CID 55934019

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 131918137) is N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is Cc1cccnc1NCCNC(=O)C1CC(=O)N(c2ccc(C(C)C)cc2)C1.
What is the InChIKey of N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is GJTYHARCRVGVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-15(2)17-6-8-19(9-7-17)26-14-18(13-20(26)27)22(28)25-12-11-24-21-16(3)5-4-10-23-21/h4-10,15,18H,11-14H2,1-3H3,(H,23,24)(H,25,28).
What are the key properties of N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 131918137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).