6-methyl-N-[2-[1-(2-methylpropyl)piperidin-3-yl]ethyl]-4-oxo-1H-pyridine-3-carboxamide

C18H29N3O2 — CID 56721126

IUPAC6-methyl-N-[2-[1-(2-methylpropyl)piperidin-3-yl]ethyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCC2CCCN(CC(C)C)C2)c[nH]1
InChIInChI=1S/C18H29N3O2/c1-13(2)11-21-8-4-5-15(12-21)6-7-19-18(23)16-10-20-14(3)9-17(16)22/h9-10,13,15H,4-8,11-12H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyUXQUVPGPYBAFGR-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.17
Rot. Bonds6

About 6-methyl-N-[2-[1-(2-methylpropyl)piperidin-3-yl]ethyl]-4-oxo-1H-pyridine-3-carboxamide

6-methyl-N-[2-[1-(2-methylpropyl)piperidin-3-yl]ethyl]-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 56721126) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 6-methyl-N-[2-[1-(2-methylpropyl)piperidin-3-yl]ethyl]-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-[1-(2-methylpropyl)piperidin-3-yl]ethyl]-4-oxo-1H-pyridine-3-carboxamide
PubChem CID56721126
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name6-methyl-N-[2-[1-(2-methylpropyl)piperidin-3-yl]ethyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCC2CCCN(CC(C)C)C2)c[nH]1
InChIInChI=1S/C18H29N3O2/c1-13(2)11-21-8-4-5-15(12-21)6-7-19-18(23)16-10-20-14(3)9-17(16)22/h9-10,13,15H,4-8,11-12H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyUXQUVPGPYBAFGR-UHFFFAOYSA-N
XLogP2.17
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-[1-(2-methylpropyl)piperidin-3-yl]ethyl]-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[2-[1-(2-methylpropyl)piperidin-3-yl]ethyl]-4-oxo-1H-pyridine-3-carboxamide (CID 56721126) is 6-methyl-N-[2-[1-(2-methylpropyl)piperidin-3-yl]ethyl]-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-[1-(2-methylpropyl)piperidin-3-yl]ethyl]-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[2-[1-(2-methylpropyl)piperidin-3-yl]ethyl]-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCCC2CCCN(CC(C)C)C2)c[nH]1.
What is the InChIKey of 6-methyl-N-[2-[1-(2-methylpropyl)piperidin-3-yl]ethyl]-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is UXQUVPGPYBAFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-13(2)11-21-8-4-5-15(12-21)6-7-19-18(23)16-10-20-14(3)9-17(16)22/h9-10,13,15H,4-8,11-12H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of 6-methyl-N-[2-[1-(2-methylpropyl)piperidin-3-yl]ethyl]-4-oxo-1H-pyridine-3-carboxamide?
6-methyl-N-[2-[1-(2-methylpropyl)piperidin-3-yl]ethyl]-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-[1-(2-methylpropyl)piperidin-3-yl]ethyl]-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56721126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).