N-[(2S)-2-[4-(5-methyl-2-pyridinyl)triazol-1-yl]propyl]-3-(5-oxopyrrolidin-2-yl)propanamide

C18H24N6O2 — CID 166372230

IUPACN-[(2S)-2-[4-(5-methyl-2-pyridinyl)triazol-1-yl]propyl]-3-(5-oxopyrrolidin-2-yl)propanamide
SMILESCc1ccc(-c2cn([C@@H](C)CNC(=O)CCC3CCC(=O)N3)nn2)nc1
InChIInChI=1S/C18H24N6O2/c1-12-3-6-15(19-9-12)16-11-24(23-22-16)13(2)10-20-17(25)7-4-14-5-8-18(26)21-14/h3,6,9,11,13-14H,4-5,7-8,10H2,1-2H3,(H,20,25)(H,21,26)/t13-,14?/m0/s1
InChIKeyDVAGWKAZERMBKG-LSLKUGRBSA-N
MW356.43 g/mol
LogP1.38
Rot. Bonds7

About N-[(2S)-2-[4-(5-methyl-2-pyridinyl)triazol-1-yl]propyl]-3-(5-oxopyrrolidin-2-yl)propanamide

N-[(2S)-2-[4-(5-methyl-2-pyridinyl)triazol-1-yl]propyl]-3-(5-oxopyrrolidin-2-yl)propanamide (PubChem CID 166372230) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(2S)-2-[4-(5-methyl-2-pyridinyl)triazol-1-yl]propyl]-3-(5-oxopyrrolidin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-2-[4-(5-methyl-2-pyridinyl)triazol-1-yl]propyl]-3-(5-oxopyrrolidin-2-yl)propanamide
PubChem CID166372230
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-[(2S)-2-[4-(5-methyl-2-pyridinyl)triazol-1-yl]propyl]-3-(5-oxopyrrolidin-2-yl)propanamide
SMILESCc1ccc(-c2cn([C@@H](C)CNC(=O)CCC3CCC(=O)N3)nn2)nc1
InChIInChI=1S/C18H24N6O2/c1-12-3-6-15(19-9-12)16-11-24(23-22-16)13(2)10-20-17(25)7-4-14-5-8-18(26)21-14/h3,6,9,11,13-14H,4-5,7-8,10H2,1-2H3,(H,20,25)(H,21,26)/t13-,14?/m0/s1
InChIKeyDVAGWKAZERMBKG-LSLKUGRBSA-N
XLogP1.38
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-2-propan-2-ylcyclopropyl)-3-(5-oxopyrrolidin-2-yl)propanamide
CID 128667930
(5S)-5-(3-oxobutyl)pyrrolidin-2-one
CID 174305223
N-(2-methyl-5-methylsulfanylphenyl)-3-(5-oxopyrrolidin-2-yl)propanamide
CID 138044856
N-methyl-5-[6-[1-[3-[(2R)-5-oxopyrrolidin-2-yl]propanoyl]piperidin-4-yl]-3-pyridinyl]pyridine-2-carboxamide
CID 95834079
3-(5-oxopyrrolidin-2-yl)-N-[[1-[3-(1,2,4-triazol-1-yl)propanoylamino]cyclopropyl]methyl]propanamide
CID 167842654
ethyl 1-[(5-oxopyrrolidin-2-yl)methyl]-5-propan-2-yltriazole-4-carboxylate
CID 107530787
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(5-oxopyrrolidin-2-yl)propanamide
CID 167822050
N-[3-(2,6-difluorophenyl)oxetan-3-yl]-3-(5-oxopyrrolidin-2-yl)propanamide
CID 136566509
N-[(2S)-2-(4-methylphenoxy)propyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 96566487
ethyl (3S)-3-hydroxy-4-[4-(5-methyl-2-pyridinyl)triazol-1-yl]butanoate
CID 166263679
5-[[4-[(2-methylpropylamino)methyl]triazol-1-yl]methyl]pyrrolidin-2-one
CID 107530869
[6-(1-propan-2-yltriazol-4-yl)-3-pyridinyl]methanol
CID 166375778

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[4-(5-methyl-2-pyridinyl)triazol-1-yl]propyl]-3-(5-oxopyrrolidin-2-yl)propanamide?
The IUPAC name of N-[(2S)-2-[4-(5-methyl-2-pyridinyl)triazol-1-yl]propyl]-3-(5-oxopyrrolidin-2-yl)propanamide (CID 166372230) is N-[(2S)-2-[4-(5-methyl-2-pyridinyl)triazol-1-yl]propyl]-3-(5-oxopyrrolidin-2-yl)propanamide.
What is the SMILES notation for N-[(2S)-2-[4-(5-methyl-2-pyridinyl)triazol-1-yl]propyl]-3-(5-oxopyrrolidin-2-yl)propanamide?
The canonical SMILES for N-[(2S)-2-[4-(5-methyl-2-pyridinyl)triazol-1-yl]propyl]-3-(5-oxopyrrolidin-2-yl)propanamide is Cc1ccc(-c2cn([C@@H](C)CNC(=O)CCC3CCC(=O)N3)nn2)nc1.
What is the InChIKey of N-[(2S)-2-[4-(5-methyl-2-pyridinyl)triazol-1-yl]propyl]-3-(5-oxopyrrolidin-2-yl)propanamide?
The InChIKey is DVAGWKAZERMBKG-LSLKUGRBSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-12-3-6-15(19-9-12)16-11-24(23-22-16)13(2)10-20-17(25)7-4-14-5-8-18(26)21-14/h3,6,9,11,13-14H,4-5,7-8,10H2,1-2H3,(H,20,25)(H,21,26)/t13-,14?/m0/s1.
What are the key properties of N-[(2S)-2-[4-(5-methyl-2-pyridinyl)triazol-1-yl]propyl]-3-(5-oxopyrrolidin-2-yl)propanamide?
N-[(2S)-2-[4-(5-methyl-2-pyridinyl)triazol-1-yl]propyl]-3-(5-oxopyrrolidin-2-yl)propanamide has a molecular weight of 356.43 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[4-(5-methyl-2-pyridinyl)triazol-1-yl]propyl]-3-(5-oxopyrrolidin-2-yl)propanamide is sourced from PubChem (CID 166372230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).