(2R)-2-(diethylamino)-3-methyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide

C18H29N5O2 — CID 95327050

IUPAC(2R)-2-(diethylamino)-3-methyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide
SMILESCCN(CC)[C@@H](C(=O)NCCCn1nc2ccccn2c1=O)C(C)C
InChIInChI=1S/C18H29N5O2/c1-5-21(6-2)16(14(3)4)17(24)19-11-9-13-23-18(25)22-12-8-7-10-15(22)20-23/h7-8,10,12,14,16H,5-6,9,11,13H2,1-4H3,(H,19,24)/t16-/m1/s1
InChIKeyRWIYOMLQVJFMKS-MRXNPFEDSA-N
MW347.46 g/mol
LogP1.37
Rot. Bonds9

About (2R)-2-(diethylamino)-3-methyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide

(2R)-2-(diethylamino)-3-methyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide (PubChem CID 95327050) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2R)-2-(diethylamino)-3-methyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(diethylamino)-3-methyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide
PubChem CID95327050
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name(2R)-2-(diethylamino)-3-methyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide
SMILESCCN(CC)[C@@H](C(=O)NCCCn1nc2ccccn2c1=O)C(C)C
InChIInChI=1S/C18H29N5O2/c1-5-21(6-2)16(14(3)4)17(24)19-11-9-13-23-18(25)22-12-8-7-10-15(22)20-23/h7-8,10,12,14,16H,5-6,9,11,13H2,1-4H3,(H,19,24)/t16-/m1/s1
InChIKeyRWIYOMLQVJFMKS-MRXNPFEDSA-N
XLogP1.37
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-(diethylamino)-3-methyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide with MolForge

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Related Compounds

1-[(2R)-butan-2-yl]-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 94796607
2-[3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 61387565
N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3,3-diphenylpropanamide
CID 60524723
2-(2-methylphenyl)sulfanyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide
CID 55865445
3-methyl-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]butanoic acid
CID 43468685
2-(5-oxohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017705
N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]propan-2-yl]-1H-indazole-3-carboxamide
CID 51134974
methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate
CID 43378341
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]propanamide
CID 55863625
2-(3,4-dichlorophenyl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]acetamide
CID 60565783
N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55861984
N-[1-oxo-1-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]-3-phenylpropan-2-yl]furan-2-carboxamide
CID 55862998

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(diethylamino)-3-methyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide?
The IUPAC name of (2R)-2-(diethylamino)-3-methyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide (CID 95327050) is (2R)-2-(diethylamino)-3-methyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide.
What is the SMILES notation for (2R)-2-(diethylamino)-3-methyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide?
The canonical SMILES for (2R)-2-(diethylamino)-3-methyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide is CCN(CC)[C@@H](C(=O)NCCCn1nc2ccccn2c1=O)C(C)C.
What is the InChIKey of (2R)-2-(diethylamino)-3-methyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide?
The InChIKey is RWIYOMLQVJFMKS-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-5-21(6-2)16(14(3)4)17(24)19-11-9-13-23-18(25)22-12-8-7-10-15(22)20-23/h7-8,10,12,14,16H,5-6,9,11,13H2,1-4H3,(H,19,24)/t16-/m1/s1.
What are the key properties of (2R)-2-(diethylamino)-3-methyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide?
(2R)-2-(diethylamino)-3-methyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide has a molecular weight of 347.46 g/mol, XLogP of 1.37, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(diethylamino)-3-methyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide is sourced from PubChem (CID 95327050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).