2-[(3S,4R)-3-amino-4-(1-methylimidazol-4-yl)pyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide

C15H19ClN6O — CID 154767474

IUPAC2-[(3S,4R)-3-amino-4-(1-methylimidazol-4-yl)pyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
SMILESCn1cnc([C@@H]2CN(CC(=O)Nc3ccc(Cl)cn3)C[C@H]2N)c1
InChIInChI=1S/C15H19ClN6O/c1-21-7-13(19-9-21)11-5-22(6-12(11)17)8-15(23)20-14-3-2-10(16)4-18-14/h2-4,7,9,11-12H,5-6,8,17H2,1H3,(H,18,20,23)/t11-,12-/m1/s1
InChIKeyUIACBMFRAVMKSC-VXGBXAGGSA-N
MW334.81 g/mol
LogP0.83
Rot. Bonds4

About 2-[(3S,4R)-3-amino-4-(1-methylimidazol-4-yl)pyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide

2-[(3S,4R)-3-amino-4-(1-methylimidazol-4-yl)pyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 154767474) has the molecular formula C15H19ClN6O and a molecular weight of 334.81 g/mol. Its IUPAC name is 2-[(3S,4R)-3-amino-4-(1-methylimidazol-4-yl)pyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(3S,4R)-3-amino-4-(1-methylimidazol-4-yl)pyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID154767474
Molecular FormulaC15H19ClN6O
Molecular Weight334.81 g/mol
Exact Mass334.13
IUPAC Name2-[(3S,4R)-3-amino-4-(1-methylimidazol-4-yl)pyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
SMILESCn1cnc([C@@H]2CN(CC(=O)Nc3ccc(Cl)cn3)C[C@H]2N)c1
InChIInChI=1S/C15H19ClN6O/c1-21-7-13(19-9-21)11-5-22(6-12(11)17)8-15(23)20-14-3-2-10(16)4-18-14/h2-4,7,9,11-12H,5-6,8,17H2,1H3,(H,18,20,23)/t11-,12-/m1/s1
InChIKeyUIACBMFRAVMKSC-VXGBXAGGSA-N
XLogP0.83
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]acetamide
CID 135090397
N-(5-chloro-2-pyridinyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 4692251
N-(5-chloro-2-pyridinyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111332524
N-(5-chloro-2-pyridinyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 17066612
N-(5-chloro-2-pyridinyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 94184594
N-(5-chloro-2-pyridinyl)-2-piperazin-1-ylacetamide
CID 28881141
N-(5-chloro-2-pyridinyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110899282
N-(5-chloro-2-pyridinyl)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]acetamide
CID 95333683
N-(5-chloro-2-pyridinyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 6467673
N-(5-chloro-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 17376167
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide;dihydrochloride
CID 120773152
N-(5-chloro-2-pyridinyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95316363

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-amino-4-(1-methylimidazol-4-yl)pyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-[(3S,4R)-3-amino-4-(1-methylimidazol-4-yl)pyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide (CID 154767474) is 2-[(3S,4R)-3-amino-4-(1-methylimidazol-4-yl)pyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(3S,4R)-3-amino-4-(1-methylimidazol-4-yl)pyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(3S,4R)-3-amino-4-(1-methylimidazol-4-yl)pyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide is Cn1cnc([C@@H]2CN(CC(=O)Nc3ccc(Cl)cn3)C[C@H]2N)c1.
What is the InChIKey of 2-[(3S,4R)-3-amino-4-(1-methylimidazol-4-yl)pyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is UIACBMFRAVMKSC-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H19ClN6O/c1-21-7-13(19-9-21)11-5-22(6-12(11)17)8-15(23)20-14-3-2-10(16)4-18-14/h2-4,7,9,11-12H,5-6,8,17H2,1H3,(H,18,20,23)/t11-,12-/m1/s1.
What are the key properties of 2-[(3S,4R)-3-amino-4-(1-methylimidazol-4-yl)pyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide?
2-[(3S,4R)-3-amino-4-(1-methylimidazol-4-yl)pyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide has a molecular weight of 334.81 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-amino-4-(1-methylimidazol-4-yl)pyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 154767474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).