(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide

C19H31N5O — CID 95598584

IUPAC(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCN(C)c1ncccc1CNC(=O)N1CCC[C@@H]1CN1CCCCC1
InChIInChI=1S/C19H31N5O/c1-22(2)18-16(8-6-10-20-18)14-21-19(25)24-13-7-9-17(24)15-23-11-4-3-5-12-23/h6,8,10,17H,3-5,7,9,11-15H2,1-2H3,(H,21,25)/t17-/m1/s1
InChIKeyWBDCYFWHSFJOEK-QGZVFWFLSA-N
MW345.49 g/mol
LogP2.31
Rot. Bonds5

About (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide

(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 95598584) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID95598584
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCN(C)c1ncccc1CNC(=O)N1CCC[C@@H]1CN1CCCCC1
InChIInChI=1S/C19H31N5O/c1-22(2)18-16(8-6-10-20-18)14-21-19(25)24-13-7-9-17(24)15-23-11-4-3-5-12-23/h6,8,10,17H,3-5,7,9,11-15H2,1-2H3,(H,21,25)/t17-/m1/s1
InChIKeyWBDCYFWHSFJOEK-QGZVFWFLSA-N
XLogP2.31
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide
CID 124608611
(3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 51948290
(2S)-N-[2-(dimethylamino)phenyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95634923
(2S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94026231
2-(cyclopropylmethylamino)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]acetamide;dihydrochloride
CID 119850355
(3S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 92862538
N-ethyl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide
CID 110196370
ethyl 1-[N-[[2-(dimethylamino)-3-pyridinyl]methyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110993282
2-(hydroxymethyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 111428254
(3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide
CID 25370039
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95598498
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95598499

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide (CID 95598584) is (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide is CN(C)c1ncccc1CNC(=O)N1CCC[C@@H]1CN1CCCCC1.
What is the InChIKey of (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is WBDCYFWHSFJOEK-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H31N5O/c1-22(2)18-16(8-6-10-20-18)14-21-19(25)24-13-7-9-17(24)15-23-11-4-3-5-12-23/h6,8,10,17H,3-5,7,9,11-15H2,1-2H3,(H,21,25)/t17-/m1/s1.
What are the key properties of (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide?
(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95598584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).