2-[(2R,5S)-5-(aminomethyl)-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetamide

C14H20N4O3 — CID 110134586

IUPAC2-[(2R,5S)-5-(aminomethyl)-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetamide
SMILESCc1ccc(C(=O)N2[C@H](CN)CC[C@@H]2CC(N)=O)c(=O)[nH]1
InChIInChI=1S/C14H20N4O3/c1-8-2-5-11(13(20)17-8)14(21)18-9(6-12(16)19)3-4-10(18)7-15/h2,5,9-10H,3-4,6-7,15H2,1H3,(H2,16,19)(H,17,20)/t9-,10+/m1/s1
InChIKeyYAAORVXCEDYZIF-ZJUUUORDSA-N
MW292.34 g/mol
LogP-0.51
Rot. Bonds4

About 2-[(2R,5S)-5-(aminomethyl)-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetamide

2-[(2R,5S)-5-(aminomethyl)-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetamide (PubChem CID 110134586) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[(2R,5S)-5-(aminomethyl)-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R,5S)-5-(aminomethyl)-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetamide
PubChem CID110134586
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-[(2R,5S)-5-(aminomethyl)-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetamide
SMILESCc1ccc(C(=O)N2[C@H](CN)CC[C@@H]2CC(N)=O)c(=O)[nH]1
InChIInChI=1S/C14H20N4O3/c1-8-2-5-11(13(20)17-8)14(21)18-9(6-12(16)19)3-4-10(18)7-15/h2,5,9-10H,3-4,6-7,15H2,1H3,(H2,16,19)(H,17,20)/t9-,10+/m1/s1
InChIKeyYAAORVXCEDYZIF-ZJUUUORDSA-N
XLogP-0.51
TPSA122.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R,5S)-1-acetyl-5-(aminomethyl)pyrrolidin-2-yl]acetamide
CID 71299010
3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 103863308
3-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 103816592
2-[(2R,5S)-5-(aminomethyl)-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]acetamide
CID 110134599
2-[(2R,5S)-5-(aminomethyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]acetamide
CID 110134619
N-[2-(aminomethyl)cyclohexyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119612413
3-(3-aminopiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one;hydrochloride
CID 119381683
3-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 102738272
3-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid
CID 115923902
3-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-6-methyl-1H-pyridin-2-one
CID 98067126
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 71873396
3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 86768773

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-5-(aminomethyl)-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetamide?
The IUPAC name of 2-[(2R,5S)-5-(aminomethyl)-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetamide (CID 110134586) is 2-[(2R,5S)-5-(aminomethyl)-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2R,5S)-5-(aminomethyl)-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetamide?
The canonical SMILES for 2-[(2R,5S)-5-(aminomethyl)-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetamide is Cc1ccc(C(=O)N2[C@H](CN)CC[C@@H]2CC(N)=O)c(=O)[nH]1.
What is the InChIKey of 2-[(2R,5S)-5-(aminomethyl)-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetamide?
The InChIKey is YAAORVXCEDYZIF-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-8-2-5-11(13(20)17-8)14(21)18-9(6-12(16)19)3-4-10(18)7-15/h2,5,9-10H,3-4,6-7,15H2,1H3,(H2,16,19)(H,17,20)/t9-,10+/m1/s1.
What are the key properties of 2-[(2R,5S)-5-(aminomethyl)-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetamide?
2-[(2R,5S)-5-(aminomethyl)-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetamide has a molecular weight of 292.34 g/mol, XLogP of -0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S)-5-(aminomethyl)-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 110134586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).