N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C21H21N5O3 — CID 134040307

IUPACN-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1CC(C(=O)NCc2ccc(-n3ccnc3)nc2)CC1=O
InChIInChI=1S/C21H21N5O3/c1-29-18-5-3-2-4-17(18)26-13-16(10-20(26)27)21(28)24-12-15-6-7-19(23-11-15)25-9-8-22-14-25/h2-9,11,14,16H,10,12-13H2,1H3,(H,24,28)
InChIKeyRIQCYHLQUCOECA-UHFFFAOYSA-N
MW391.43 g/mol
LogP1.95
Rot. Bonds6

About N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 134040307) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID134040307
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1CC(C(=O)NCc2ccc(-n3ccnc3)nc2)CC1=O
InChIInChI=1S/C21H21N5O3/c1-29-18-5-3-2-4-17(18)26-13-16(10-20(26)27)21(28)24-12-15-6-7-19(23-11-15)25-9-8-22-14-25/h2-9,11,14,16H,10,12-13H2,1H3,(H,24,28)
InChIKeyRIQCYHLQUCOECA-UHFFFAOYSA-N
XLogP1.95
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyphenyl)-5-oxo-N-(quinolin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 91787400
1-(2-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 24624650
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55709901
1-(4-ethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 60574514
N-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51147467
N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 60593455
(3S)-1-(2,4-dimethoxyphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42473597
N-[2-(4-aminophenyl)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119549566
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide
CID 7626487
(3S)-1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2713254
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111216961
1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42904798

Frequently Asked Questions

What is the IUPAC name of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 134040307) is N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccccc1N1CC(C(=O)NCc2ccc(-n3ccnc3)nc2)CC1=O.
What is the InChIKey of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RIQCYHLQUCOECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-29-18-5-3-2-4-17(18)26-13-16(10-20(26)27)21(28)24-12-15-6-7-19(23-11-15)25-9-8-22-14-25/h2-9,11,14,16H,10,12-13H2,1H3,(H,24,28).
What are the key properties of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 134040307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).