N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

C17H21N5O2 — CID 72931807

IUPACN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1cnc(CN(C)C(=O)C2CC(=O)N(Cc3ccncc3)C2)[nH]1
InChIInChI=1S/C17H21N5O2/c1-12-8-19-15(20-12)11-21(2)17(24)14-7-16(23)22(10-14)9-13-3-5-18-6-4-13/h3-6,8,14H,7,9-11H2,1-2H3,(H,19,20)
InChIKeyJIWNHXICSLZEBT-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.12
Rot. Bonds5

About N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide

N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 72931807) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID72931807
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1cnc(CN(C)C(=O)C2CC(=O)N(Cc3ccncc3)C2)[nH]1
InChIInChI=1S/C17H21N5O2/c1-12-8-19-15(20-12)11-21(2)17(24)14-7-16(23)22(10-14)9-13-3-5-18-6-4-13/h3-6,8,14H,7,9-11H2,1-2H3,(H,19,20)
InChIKeyJIWNHXICSLZEBT-UHFFFAOYSA-N
XLogP1.12
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide (CID 72931807) is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is Cc1cnc(CN(C)C(=O)C2CC(=O)N(Cc3ccncc3)C2)[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is JIWNHXICSLZEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-8-19-15(20-12)11-21(2)17(24)14-7-16(23)22(10-14)9-13-3-5-18-6-4-13/h3-6,8,14H,7,9-11H2,1-2H3,(H,19,20).
What are the key properties of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide?
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 72931807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).