N-[(2S)-2-cyanobutan-2-yl]-6-(furan-2-yl)-2-methylpyridine-3-carboxamide

C16H17N3O2 — CID 95174216

IUPACN-[(2S)-2-cyanobutan-2-yl]-6-(furan-2-yl)-2-methylpyridine-3-carboxamide
SMILESCC[C@@](C)(C#N)NC(=O)c1ccc(-c2ccco2)nc1C
InChIInChI=1S/C16H17N3O2/c1-4-16(3,10-17)19-15(20)12-7-8-13(18-11(12)2)14-6-5-9-21-14/h5-9H,4H2,1-3H3,(H,19,20)/t16-/m0/s1
InChIKeyFJGIOBNBOWFBTH-INIZCTEOSA-N
MW283.33 g/mol
LogP3.07
Rot. Bonds4

About N-[(2S)-2-cyanobutan-2-yl]-6-(furan-2-yl)-2-methylpyridine-3-carboxamide

N-[(2S)-2-cyanobutan-2-yl]-6-(furan-2-yl)-2-methylpyridine-3-carboxamide (PubChem CID 95174216) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(2S)-2-cyanobutan-2-yl]-6-(furan-2-yl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-cyanobutan-2-yl]-6-(furan-2-yl)-2-methylpyridine-3-carboxamide
PubChem CID95174216
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[(2S)-2-cyanobutan-2-yl]-6-(furan-2-yl)-2-methylpyridine-3-carboxamide
SMILESCC[C@@](C)(C#N)NC(=O)c1ccc(-c2ccco2)nc1C
InChIInChI=1S/C16H17N3O2/c1-4-16(3,10-17)19-15(20)12-7-8-13(18-11(12)2)14-6-5-9-21-14/h5-9H,4H2,1-3H3,(H,19,20)/t16-/m0/s1
InChIKeyFJGIOBNBOWFBTH-INIZCTEOSA-N
XLogP3.07
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyanobutan-2-yl]-6-(furan-2-yl)-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2-cyanobutan-2-yl]-6-(furan-2-yl)-2-methylpyridine-3-carboxamide (CID 95174216) is N-[(2S)-2-cyanobutan-2-yl]-6-(furan-2-yl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-cyanobutan-2-yl]-6-(furan-2-yl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-cyanobutan-2-yl]-6-(furan-2-yl)-2-methylpyridine-3-carboxamide is CC[C@@](C)(C#N)NC(=O)c1ccc(-c2ccco2)nc1C.
What is the InChIKey of N-[(2S)-2-cyanobutan-2-yl]-6-(furan-2-yl)-2-methylpyridine-3-carboxamide?
The InChIKey is FJGIOBNBOWFBTH-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-4-16(3,10-17)19-15(20)12-7-8-13(18-11(12)2)14-6-5-9-21-14/h5-9H,4H2,1-3H3,(H,19,20)/t16-/m0/s1.
What are the key properties of N-[(2S)-2-cyanobutan-2-yl]-6-(furan-2-yl)-2-methylpyridine-3-carboxamide?
N-[(2S)-2-cyanobutan-2-yl]-6-(furan-2-yl)-2-methylpyridine-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyanobutan-2-yl]-6-(furan-2-yl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 95174216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).