N-[(2S)-3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)butan-2-yl]furan-2-carboxamide

C17H19N5O3 — CID 31282646

IUPACN-[(2S)-3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)butan-2-yl]furan-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1ccco1)C(=O)NCc1nnc2ccccn12
InChIInChI=1S/C17H19N5O3/c1-11(2)15(19-16(23)12-6-5-9-25-12)17(24)18-10-14-21-20-13-7-3-4-8-22(13)14/h3-9,11,15H,10H2,1-2H3,(H,18,24)(H,19,23)/t15-/m0/s1
InChIKeyNLYIFDXYSBNUKG-HNNXBMFYSA-N
MW341.37 g/mol
LogP1.39
Rot. Bonds6

About N-[(2S)-3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)butan-2-yl]furan-2-carboxamide

N-[(2S)-3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)butan-2-yl]furan-2-carboxamide (PubChem CID 31282646) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)butan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)butan-2-yl]furan-2-carboxamide
PubChem CID31282646
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC NameN-[(2S)-3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)butan-2-yl]furan-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1ccco1)C(=O)NCc1nnc2ccccn12
InChIInChI=1S/C17H19N5O3/c1-11(2)15(19-16(23)12-6-5-9-25-12)17(24)18-10-14-21-20-13-7-3-4-8-22(13)14/h3-9,11,15H,10H2,1-2H3,(H,18,24)(H,19,23)/t15-/m0/s1
InChIKeyNLYIFDXYSBNUKG-HNNXBMFYSA-N
XLogP1.39
TPSA101.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)butan-2-yl]furan-2-carboxamide
CID 51079271
N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
CID 42536093
(2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 51923704
N-[2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17461631
N-[(2R)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 26002055
N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 78769855
N-[1-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51268666
N-[(2S)-1-(2-benzylsulfanylethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24548221
(2S)-2-amino-3-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pentanamide
CID 61275748
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
N-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 110878208
1-(furan-2-ylmethyl)-2,5-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 32966425

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)butan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)butan-2-yl]furan-2-carboxamide (CID 31282646) is N-[(2S)-3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)butan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)butan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)butan-2-yl]furan-2-carboxamide is CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCc1nnc2ccccn12.
What is the InChIKey of N-[(2S)-3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)butan-2-yl]furan-2-carboxamide?
The InChIKey is NLYIFDXYSBNUKG-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-11(2)15(19-16(23)12-6-5-9-25-12)17(24)18-10-14-21-20-13-7-3-4-8-22(13)14/h3-9,11,15H,10H2,1-2H3,(H,18,24)(H,19,23)/t15-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)butan-2-yl]furan-2-carboxamide?
N-[(2S)-3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)butan-2-yl]furan-2-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-oxo-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)butan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 31282646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).