1-ethyl-6-methyl-2-oxo-N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyridine-3-carboxamide

C21H28N4O2 — CID 99929015

About 1-ethyl-6-methyl-2-oxo-N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyridine-3-carboxamide

1-ethyl-6-methyl-2-oxo-N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyridine-3-carboxamide (PubChem CID 99929015) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-ethyl-6-methyl-2-oxo-N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-6-methyl-2-oxo-N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyridine-3-carboxamide
• PubChem CID: 99929015
• Molecular Formula: C21H28N4O2
• Molecular Weight: 368.48 g/mol
• Exact Mass: 368.22
• IUPAC Name: 1-ethyl-6-methyl-2-oxo-N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyridine-3-carboxamide
• SMILES: CCn1c(C)ccc(C(=O)NC[C@H](c2cccnc2)N2CCCCC2)c1=O
• InChI: InChI=1S/C21H28N4O2/c1-3-25-16(2)9-10-18(21(25)27)20(26)23-15-19(17-8-7-11-22-14-17)24-12-5-4-6-13-24/h7-11,14,19H,3-6,12-13,15H2,1-2H3,(H,23,26)/t19-/m1/s1
• InChIKey: RSLGWUUWKGFEDF-LJQANCHMSA-N
• XLogP: 2.53
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.48
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-2-oxo-N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyridine-3-carboxamide?

The IUPAC name of 1-ethyl-6-methyl-2-oxo-N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyridine-3-carboxamide (CID 99929015) is 1-ethyl-6-methyl-2-oxo-N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyridine-3-carboxamide.

What is the SMILES notation for 1-ethyl-6-methyl-2-oxo-N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyridine-3-carboxamide?

The canonical SMILES for 1-ethyl-6-methyl-2-oxo-N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyridine-3-carboxamide is CCn1c(C)ccc(C(=O)NC[C@H](c2cccnc2)N2CCCCC2)c1=O.

What is the InChIKey of 1-ethyl-6-methyl-2-oxo-N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyridine-3-carboxamide?

The InChIKey is RSLGWUUWKGFEDF-LJQANCHMSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-3-25-16(2)9-10-18(21(25)27)20(26)23-15-19(17-8-7-11-22-14-17)24-12-5-4-6-13-24/h7-11,14,19H,3-6,12-13,15H2,1-2H3,(H,23,26)/t19-/m1/s1.

What are the key properties of 1-ethyl-6-methyl-2-oxo-N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyridine-3-carboxamide?

1-ethyl-6-methyl-2-oxo-N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyridine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-6-methyl-2-oxo-N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 99929015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).