(2S)-N-methyl-1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

C19H30N4O2 — CID 75411375

IUPAC(2S)-N-methyl-1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H](CC(C)C)N1CCC[C@H]1C(=O)N(C)Cc1cccnc1
InChIInChI=1S/C19H30N4O2/c1-14(2)11-17(18(24)20-3)23-10-6-8-16(23)19(25)22(4)13-15-7-5-9-21-12-15/h5,7,9,12,14,16-17H,6,8,10-11,13H2,1-4H3,(H,20,24)/t16-,17+/m0/s1
InChIKeySTIKFSFZKZYWGO-DLBZAZTESA-N
MW346.48 g/mol
LogP1.67
Rot. Bonds7

About (2S)-N-methyl-1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

(2S)-N-methyl-1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 75411375) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is (2S)-N-methyl-1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID75411375
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name(2S)-N-methyl-1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H](CC(C)C)N1CCC[C@H]1C(=O)N(C)Cc1cccnc1
InChIInChI=1S/C19H30N4O2/c1-14(2)11-17(18(24)20-3)23-10-6-8-16(23)19(25)22(4)13-15-7-5-9-21-12-15/h5,7,9,12,14,16-17H,6,8,10-11,13H2,1-4H3,(H,20,24)/t16-,17+/m0/s1
InChIKeySTIKFSFZKZYWGO-DLBZAZTESA-N
XLogP1.67
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (CID 75411375) is (2S)-N-methyl-1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is CNC(=O)[C@@H](CC(C)C)N1CCC[C@H]1C(=O)N(C)Cc1cccnc1.
What is the InChIKey of (2S)-N-methyl-1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is STIKFSFZKZYWGO-DLBZAZTESA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14(2)11-17(18(24)20-3)23-10-6-8-16(23)19(25)22(4)13-15-7-5-9-21-12-15/h5,7,9,12,14,16-17H,6,8,10-11,13H2,1-4H3,(H,20,24)/t16-,17+/m0/s1.
What are the key properties of (2S)-N-methyl-1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
(2S)-N-methyl-1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 75411375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).