N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide

C16H20N2O3 — CID 94818587

IUPACN-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
SMILESCC(C)COC[C@H](NC(=O)c1ccccn1)c1ccco1
InChIInChI=1S/C16H20N2O3/c1-12(2)10-20-11-14(15-7-5-9-21-15)18-16(19)13-6-3-4-8-17-13/h3-9,12,14H,10-11H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKeyIKKTWRYLCLCNLG-AWEZNQCLSA-N
MW288.35 g/mol
LogP2.82
Rot. Bonds7

About N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide

N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide (PubChem CID 94818587) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
PubChem CID94818587
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
SMILESCC(C)COC[C@H](NC(=O)c1ccccn1)c1ccco1
InChIInChI=1S/C16H20N2O3/c1-12(2)10-20-11-14(15-7-5-9-21-15)18-16(19)13-6-3-4-8-17-13/h3-9,12,14H,10-11H2,1-2H3,(H,18,19)/t14-/m0/s1
InChIKeyIKKTWRYLCLCNLG-AWEZNQCLSA-N
XLogP2.82
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyrazine-2-carboxamide
CID 51105520
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]-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
4,5-dibromo-N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]thiophene-2-carboxamide
CID 52513156
N-[1-(furan-2-yl)propan-2-yl]pyridine-2-carboxamide
CID 42957156
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]-3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 166206458
N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438580
N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559
6-methyl-3-(pyridine-2-carbonylamino)heptanoic acid
CID 134329104

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide (CID 94818587) is N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide is CC(C)COC[C@H](NC(=O)c1ccccn1)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide?
The InChIKey is IKKTWRYLCLCNLG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12(2)10-20-11-14(15-7-5-9-21-15)18-16(19)13-6-3-4-8-17-13/h3-9,12,14H,10-11H2,1-2H3,(H,18,19)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide?
N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 94818587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).