N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide

C18H28N4O2 — CID 94811507

IUPACN-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide
SMILESCCN(CC(=O)N(C)C)C(=O)c1ccnc(N2CCCC[C@@H]2C)c1
InChIInChI=1S/C18H28N4O2/c1-5-21(13-17(23)20(3)4)18(24)15-9-10-19-16(12-15)22-11-7-6-8-14(22)2/h9-10,12,14H,5-8,11,13H2,1-4H3/t14-/m0/s1
InChIKeyXCFLXENTVUDSSR-AWEZNQCLSA-N
MW332.45 g/mol
LogP2.01
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide (PubChem CID 94811507) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide
PubChem CID94811507
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide
SMILESCCN(CC(=O)N(C)C)C(=O)c1ccnc(N2CCCC[C@@H]2C)c1
InChIInChI=1S/C18H28N4O2/c1-5-21(13-17(23)20(3)4)18(24)15-9-10-19-16(12-15)22-11-7-6-8-14(22)2/h9-10,12,14H,5-8,11,13H2,1-4H3/t14-/m0/s1
InChIKeyXCFLXENTVUDSSR-AWEZNQCLSA-N
XLogP2.01
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide (CID 94811507) is N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide is CCN(CC(=O)N(C)C)C(=O)c1ccnc(N2CCCC[C@@H]2C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide?
The InChIKey is XCFLXENTVUDSSR-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-5-21(13-17(23)20(3)4)18(24)15-9-10-19-16(12-15)22-11-7-6-8-14(22)2/h9-10,12,14H,5-8,11,13H2,1-4H3/t14-/m0/s1.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-[(2S)-2-methylpiperidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 94811507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).