6-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide

C14H17N3O2 — CID 95402245

IUPAC6-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
SMILESCCN(C[C@@H]1CCCO1)C(=O)c1ccc(C#N)nc1
InChIInChI=1S/C14H17N3O2/c1-2-17(10-13-4-3-7-19-13)14(18)11-5-6-12(8-15)16-9-11/h5-6,9,13H,2-4,7,10H2,1H3/t13-/m0/s1
InChIKeyNUDJGUMCZMJRHZ-ZDUSSCGKSA-N
MW259.31 g/mol
LogP1.59
Rot. Bonds4

About 6-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide

6-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 95402245) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
PubChem CID95402245
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name6-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
SMILESCCN(C[C@@H]1CCCO1)C(=O)c1ccc(C#N)nc1
InChIInChI=1S/C14H17N3O2/c1-2-17(10-13-4-3-7-19-13)14(18)11-5-6-12(8-15)16-9-11/h5-6,9,13H,2-4,7,10H2,1H3/t13-/m0/s1
InChIKeyNUDJGUMCZMJRHZ-ZDUSSCGKSA-N
XLogP1.59
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62161209
N-ethyl-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179784
2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 55041803
4-cyano-N-[[(2R)-oxolan-2-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94817152
2-(4-cyanophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide
CID 61344785
N-ethyl-3-hydroxy-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 79600203
N-ethyl-N-(2-methylprop-2-enyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 78800219
3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61433455
2-[2-ethoxy-4-[ethyl(oxolan-2-ylmethyl)carbamoyl]phenoxy]acetic acid
CID 119182463
N-ethyl-5-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 104640524
3-[(6-methylpyridine-3-carbonyl)-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124698719
N-ethyl-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 146087509

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide (CID 95402245) is 6-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide is CCN(C[C@@H]1CCCO1)C(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is NUDJGUMCZMJRHZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-17(10-13-4-3-7-19-13)14(18)11-5-6-12(8-15)16-9-11/h5-6,9,13H,2-4,7,10H2,1H3/t13-/m0/s1.
What are the key properties of 6-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide?
6-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 95402245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).