(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide

C18H26N6O — CID 124608611

IUPAC(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide
SMILESCc1nccn1C[C@H]1CCCN1C(=O)NCc1cccnc1N(C)C
InChIInChI=1S/C18H26N6O/c1-14-19-9-11-23(14)13-16-7-5-10-24(16)18(25)21-12-15-6-4-8-20-17(15)22(2)3/h4,6,8-9,11,16H,5,7,10,12-13H2,1-3H3,(H,21,25)/t16-/m1/s1
InChIKeyZAWLXCPLRJIFGI-MRXNPFEDSA-N
MW342.45 g/mol
LogP2.03
Rot. Bonds5

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

(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 124608611) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID124608611
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide
SMILESCc1nccn1C[C@H]1CCCN1C(=O)NCc1cccnc1N(C)C
InChIInChI=1S/C18H26N6O/c1-14-19-9-11-23(14)13-16-7-5-10-24(16)18(25)21-12-15-6-4-8-20-17(15)22(2)3/h4,6,8-9,11,16H,5,7,10,12-13H2,1-3H3,(H,21,25)/t16-/m1/s1
InChIKeyZAWLXCPLRJIFGI-MRXNPFEDSA-N
XLogP2.03
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95598584
N-(2-methoxy-5-methylphenyl)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide
CID 136512978
(3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 51948290
2-(hydroxymethyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 111428254
3-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 119954161
(3-aminophenyl)-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone;dihydrochloride
CID 119897776
3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 120504283
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(3R)-2-oxoazepan-3-yl]urea
CID 94058445
(2S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94026231
(2S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 99829812
3-amino-2-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 119897763
3-amino-1-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119954160

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide (CID 124608611) is (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide is Cc1nccn1C[C@H]1CCCN1C(=O)NCc1cccnc1N(C)C.
What is the InChIKey of (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is ZAWLXCPLRJIFGI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N6O/c1-14-19-9-11-23(14)13-16-7-5-10-24(16)18(25)21-12-15-6-4-8-20-17(15)22(2)3/h4,6,8-9,11,16H,5,7,10,12-13H2,1-3H3,(H,21,25)/t16-/m1/s1.
What are the key properties of (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide?
(2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[(2-methylimidazol-1-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 124608611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).