N-[(3-cyclopropylimidazol-4-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C21H26N4O2 — CID 72934168

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccc(N2CC(C(=O)NCc3cncn3C3CC3)CC2=O)cc1
InChIInChI=1S/C21H26N4O2/c1-14(2)15-3-5-17(6-4-15)24-12-16(9-20(24)26)21(27)23-11-19-10-22-13-25(19)18-7-8-18/h3-6,10,13-14,16,18H,7-9,11-12H2,1-2H3,(H,23,27)
InChIKeyNOSZRPWOOHSFJC-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.01
Rot. Bonds6

About N-[(3-cyclopropylimidazol-4-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

N-[(3-cyclopropylimidazol-4-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 72934168) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID72934168
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1ccc(N2CC(C(=O)NCc3cncn3C3CC3)CC2=O)cc1
InChIInChI=1S/C21H26N4O2/c1-14(2)15-3-5-17(6-4-15)24-12-16(9-20(24)26)21(27)23-11-19-10-22-13-25(19)18-7-8-18/h3-6,10,13-14,16,18H,7-9,11-12H2,1-2H3,(H,23,27)
InChIKeyNOSZRPWOOHSFJC-UHFFFAOYSA-N
XLogP3.01
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(3-ethylimidazol-4-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 97143684
(3S)-5-oxo-1-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 93018322
(3R)-5-oxo-1-(4-propan-2-ylphenyl)-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 93018331
(3S)-5-oxo-1-(4-propan-2-ylphenyl)-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 93018332
N-[(4-fluorophenyl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42881995
(3S)-5-oxo-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 97116016
(3R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 97144047
(3S)-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 97155019
(3S)-N-(2-ethylsulfonylethyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 97156120
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 72883984
(3R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 97121063
(3S)-N-(3-methoxypropyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 93018312

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 72934168) is N-[(3-cyclopropylimidazol-4-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CC(C)c1ccc(N2CC(C(=O)NCc3cncn3C3CC3)CC2=O)cc1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is NOSZRPWOOHSFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14(2)15-3-5-17(6-4-15)24-12-16(9-20(24)26)21(27)23-11-19-10-22-13-25(19)18-7-8-18/h3-6,10,13-14,16,18H,7-9,11-12H2,1-2H3,(H,23,27).
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
N-[(3-cyclopropylimidazol-4-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 72934168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).