N-(4-methyl-3-pyridinyl)-5-oxohexanamide

C12H16N2O2 — CID 75455735

IUPACN-(4-methyl-3-pyridinyl)-5-oxohexanamide
SMILESCC(=O)CCCC(=O)Nc1cnccc1C
InChIInChI=1S/C12H16N2O2/c1-9-6-7-13-8-11(9)14-12(16)5-3-4-10(2)15/h6-8H,3-5H2,1-2H3,(H,14,16)
InChIKeyMXEWYKRDNYHIES-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.09
Rot. Bonds5

About N-(4-methyl-3-pyridinyl)-5-oxohexanamide

N-(4-methyl-3-pyridinyl)-5-oxohexanamide (PubChem CID 75455735) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(4-methyl-3-pyridinyl)-5-oxohexanamide.

Molecular Properties

Compound NameN-(4-methyl-3-pyridinyl)-5-oxohexanamide
PubChem CID75455735
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(4-methyl-3-pyridinyl)-5-oxohexanamide
SMILESCC(=O)CCCC(=O)Nc1cnccc1C
InChIInChI=1S/C12H16N2O2/c1-9-6-7-13-8-11(9)14-12(16)5-3-4-10(2)15/h6-8H,3-5H2,1-2H3,(H,14,16)
InChIKeyMXEWYKRDNYHIES-UHFFFAOYSA-N
XLogP2.09
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-(4-methyl-3-pyridinyl)pentanamide
CID 79191742
2-bromo-N-(4-methyl-3-pyridinyl)acetamide
CID 63678424
5-(4-bromophenyl)-N-(4-methyl-3-pyridinyl)pentanamide
CID 166195436
2-(ethylamino)-N-(4-methyl-3-pyridinyl)acetamide
CID 63327490
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
N-(4-methyl-3-pyridinyl)-3-(1H-pyrazol-5-yl)propanamide
CID 156907188
N-(4-methyl-3-pyridinyl)-2-[3-(4-oxopentyl)-1H-indol-7-yl]acetamide
CID 154706722
N-(4-methyl-3-pyridinyl)-2-(propylamino)acetamide
CID 63327491
N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 63327303
2-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)acetamide
CID 56826552
2-methyl-N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 89097906
methyl N-(4-methyl-3-pyridinyl)carbamate
CID 11672725

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-pyridinyl)-5-oxohexanamide?
The IUPAC name of N-(4-methyl-3-pyridinyl)-5-oxohexanamide (CID 75455735) is N-(4-methyl-3-pyridinyl)-5-oxohexanamide.
What is the SMILES notation for N-(4-methyl-3-pyridinyl)-5-oxohexanamide?
The canonical SMILES for N-(4-methyl-3-pyridinyl)-5-oxohexanamide is CC(=O)CCCC(=O)Nc1cnccc1C.
What is the InChIKey of N-(4-methyl-3-pyridinyl)-5-oxohexanamide?
The InChIKey is MXEWYKRDNYHIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-6-7-13-8-11(9)14-12(16)5-3-4-10(2)15/h6-8H,3-5H2,1-2H3,(H,14,16).
What are the key properties of N-(4-methyl-3-pyridinyl)-5-oxohexanamide?
N-(4-methyl-3-pyridinyl)-5-oxohexanamide has a molecular weight of 220.27 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-pyridinyl)-5-oxohexanamide is sourced from PubChem (CID 75455735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).