(2S)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propanoylpyrrolidine-2-carboxamide

C14H22N4O2 — CID 90649581

IUPAC(2S)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propanoylpyrrolidine-2-carboxamide
SMILESCCC(=O)N1CCC[C@H]1C(=O)N(C)Cc1ncc(C)[nH]1
InChIInChI=1S/C14H22N4O2/c1-4-13(19)18-7-5-6-11(18)14(20)17(3)9-12-15-8-10(2)16-12/h8,11H,4-7,9H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyMXWNERWEBOZZCU-NSHDSACASA-N
MW278.36 g/mol
LogP1.08
Rot. Bonds4

About (2S)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propanoylpyrrolidine-2-carboxamide

(2S)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propanoylpyrrolidine-2-carboxamide (PubChem CID 90649581) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (2S)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propanoylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propanoylpyrrolidine-2-carboxamide
PubChem CID90649581
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(2S)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propanoylpyrrolidine-2-carboxamide
SMILESCCC(=O)N1CCC[C@H]1C(=O)N(C)Cc1ncc(C)[nH]1
InChIInChI=1S/C14H22N4O2/c1-4-13(19)18-7-5-6-11(18)14(20)17(3)9-12-15-8-10(2)16-12/h8,11H,4-7,9H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyMXWNERWEBOZZCU-NSHDSACASA-N
XLogP1.08
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propanoylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propanoylpyrrolidine-2-carboxamide (CID 90649581) is (2S)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propanoylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propanoylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propanoylpyrrolidine-2-carboxamide is CCC(=O)N1CCC[C@H]1C(=O)N(C)Cc1ncc(C)[nH]1.
What is the InChIKey of (2S)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propanoylpyrrolidine-2-carboxamide?
The InChIKey is MXWNERWEBOZZCU-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-13(19)18-7-5-6-11(18)14(20)17(3)9-12-15-8-10(2)16-12/h8,11H,4-7,9H2,1-3H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propanoylpyrrolidine-2-carboxamide?
(2S)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propanoylpyrrolidine-2-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propanoylpyrrolidine-2-carboxamide is sourced from PubChem (CID 90649581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).