4-methyl-1-(3-methylbutyl)-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide

C22H35N3O3 — CID 172664709

IUPAC4-methyl-1-(3-methylbutyl)-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccn(CCC(C)C)c(=O)c1C(=O)NC1CCN(CC2CCCO2)CC1
InChIInChI=1S/C22H35N3O3/c1-16(2)6-12-25-13-7-17(3)20(22(25)27)21(26)23-18-8-10-24(11-9-18)15-19-5-4-14-28-19/h7,13,16,18-19H,4-6,8-12,14-15H2,1-3H3,(H,23,26)
InChIKeyXROWPKNXOBRTHT-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.58
Rot. Bonds7

About 4-methyl-1-(3-methylbutyl)-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide

4-methyl-1-(3-methylbutyl)-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 172664709) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is 4-methyl-1-(3-methylbutyl)-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-1-(3-methylbutyl)-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID172664709
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC Name4-methyl-1-(3-methylbutyl)-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccn(CCC(C)C)c(=O)c1C(=O)NC1CCN(CC2CCCO2)CC1
InChIInChI=1S/C22H35N3O3/c1-16(2)6-12-25-13-7-17(3)20(22(25)27)21(26)23-18-8-10-24(11-9-18)15-19-5-4-14-28-19/h7,13,16,18-19H,4-6,8-12,14-15H2,1-3H3,(H,23,26)
InChIKeyXROWPKNXOBRTHT-UHFFFAOYSA-N
XLogP2.58
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylbutyl)-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 4-methyl-1-(3-methylbutyl)-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide (CID 172664709) is 4-methyl-1-(3-methylbutyl)-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-1-(3-methylbutyl)-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-1-(3-methylbutyl)-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide is Cc1ccn(CCC(C)C)c(=O)c1C(=O)NC1CCN(CC2CCCO2)CC1.
What is the InChIKey of 4-methyl-1-(3-methylbutyl)-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is XROWPKNXOBRTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-16(2)6-12-25-13-7-17(3)20(22(25)27)21(26)23-18-8-10-24(11-9-18)15-19-5-4-14-28-19/h7,13,16,18-19H,4-6,8-12,14-15H2,1-3H3,(H,23,26).
What are the key properties of 4-methyl-1-(3-methylbutyl)-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
4-methyl-1-(3-methylbutyl)-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylbutyl)-2-oxo-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 172664709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).