N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C17H20N4O4 — CID 166206458

IUPACN-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCC(C)COCC(NC(=O)c1cccn2c(=O)[nH]nc12)c1ccco1
InChIInChI=1S/C17H20N4O4/c1-11(2)9-24-10-13(14-6-4-8-25-14)18-16(22)12-5-3-7-21-15(12)19-20-17(21)23/h3-8,11,13H,9-10H2,1-2H3,(H,18,22)(H,20,23)
InChIKeyIBFJWKTXVBAREP-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.76
Rot. Bonds7

About N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 166206458) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID166206458
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC NameN-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCC(C)COCC(NC(=O)c1cccn2c(=O)[nH]nc12)c1ccco1
InChIInChI=1S/C17H20N4O4/c1-11(2)9-24-10-13(14-6-4-8-25-14)18-16(22)12-5-3-7-21-15(12)19-20-17(21)23/h3-8,11,13H,9-10H2,1-2H3,(H,18,22)(H,20,23)
InChIKeyIBFJWKTXVBAREP-UHFFFAOYSA-N
XLogP1.76
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-2-methylfuran-3-carboxamide
CID 95293966
N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyrazine-2-carboxamide
CID 51105520
N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
CID 94818587
4,5-dibromo-N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]thiophene-2-carboxamide
CID 52513156
4-acetyl-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 95325019
N-[(2S)-1-[[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 95300670
N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
CID 138002210
1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]triazole-4-carboxamide
CID 95343414
N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438580
1-(furan-2-yl)-2-(2-methylpropoxy)ethanone
CID 43798717
N-(cyclopropylmethyl)-1-(furan-2-yl)-2-(2-methylpropoxy)ethanamine
CID 119110601
N-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide
CID 81399463

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 166206458) is N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is CC(C)COCC(NC(=O)c1cccn2c(=O)[nH]nc12)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is IBFJWKTXVBAREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-11(2)9-24-10-13(14-6-4-8-25-14)18-16(22)12-5-3-7-21-15(12)19-20-17(21)23/h3-8,11,13H,9-10H2,1-2H3,(H,18,22)(H,20,23).
What are the key properties of N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 166206458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).