(3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C18H25N5O — CID 56864304

IUPAC(3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCc1nc([C@H]2CN(C)C[C@@H]2C(=O)NCc2ccccn2)c(C)[nH]1
InChIInChI=1S/C18H25N5O/c1-4-16-21-12(2)17(22-16)14-10-23(3)11-15(14)18(24)20-9-13-7-5-6-8-19-13/h5-8,14-15H,4,9-11H2,1-3H3,(H,20,24)(H,21,22)/t14-,15-/m0/s1
InChIKeyRHKIDPDMQHCFTG-GJZGRUSLSA-N
MW327.43 g/mol
LogP1.64
Rot. Bonds5

About (3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

(3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 56864304) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is (3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID56864304
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name(3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCc1nc([C@H]2CN(C)C[C@@H]2C(=O)NCc2ccccn2)c(C)[nH]1
InChIInChI=1S/C18H25N5O/c1-4-16-21-12(2)17(22-16)14-10-23(3)11-15(14)18(24)20-9-13-7-5-6-8-19-13/h5-8,14-15H,4,9-11H2,1-3H3,(H,20,24)(H,21,22)/t14-,15-/m0/s1
InChIKeyRHKIDPDMQHCFTG-GJZGRUSLSA-N
XLogP1.64
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 56864304) is (3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is CCc1nc([C@H]2CN(C)C[C@@H]2C(=O)NCc2ccccn2)c(C)[nH]1.
What is the InChIKey of (3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is RHKIDPDMQHCFTG-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H25N5O/c1-4-16-21-12(2)17(22-16)14-10-23(3)11-15(14)18(24)20-9-13-7-5-6-8-19-13/h5-8,14-15H,4,9-11H2,1-3H3,(H,20,24)(H,21,22)/t14-,15-/m0/s1.
What are the key properties of (3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
(3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 56864304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).