(2S)-N-methyl-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride

C17H25ClN4O2 — CID 53300569

IUPAC(2S)-N-methyl-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCN(Cc1ccncc1)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-20(12-13-6-9-18-10-7-13)17(23)15-5-3-11-21(15)16(22)14-4-2-8-19-14;/h6-7,9-10,14-15,19H,2-5,8,11-12H2,1H3;1H/t14-,15-;/m0./s1
InChIKeyRHUOGXAWYGBOPH-YYLIZZNMSA-N
MW352.87 g/mol
LogP1.20
Rot. Bonds4

About (2S)-N-methyl-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-methyl-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 53300569) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is (2S)-N-methyl-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-methyl-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID53300569
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC Name(2S)-N-methyl-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCN(Cc1ccncc1)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-20(12-13-6-9-18-10-7-13)17(23)15-5-3-11-21(15)16(22)14-4-2-8-19-14;/h6-7,9-10,14-15,19H,2-5,8,11-12H2,1H3;1H/t14-,15-;/m0./s1
InChIKeyRHUOGXAWYGBOPH-YYLIZZNMSA-N
XLogP1.20
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-methyl-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride (CID 53300569) is (2S)-N-methyl-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-methyl-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-methyl-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride is CN(Cc1ccncc1)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1.Cl.
What is the InChIKey of (2S)-N-methyl-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is RHUOGXAWYGBOPH-YYLIZZNMSA-N. The full InChI is InChI=1S/C17H24N4O2.ClH/c1-20(12-13-6-9-18-10-7-13)17(23)15-5-3-11-21(15)16(22)14-4-2-8-19-14;/h6-7,9-10,14-15,19H,2-5,8,11-12H2,1H3;1H/t14-,15-;/m0./s1.
What are the key properties of (2S)-N-methyl-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-methyl-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-(pyridin-4-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 53300569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).