3-methyl-1-[1-methyl-2-[4-(1-methyl-3,4-dihydro-2H-pyridin-6-yl)-4-oxobutyl]-3,4-dihydro-2H-pyridin-6-yl]-4-(1-methyl-6-pentanoyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-one

C32H51N3O3 — CID 123478837

IUPAC3-methyl-1-[1-methyl-2-[4-(1-methyl-3,4-dihydro-2H-pyridin-6-yl)-4-oxobutyl]-3,4-dihydro-2H-pyridin-6-yl]-4-(1-methyl-6-pentanoyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-one
SMILESCCCCC(=O)C1=CCCC(CC(C)CC(=O)C2=CCCC(CCCC(=O)C3=CCCCN3C)N2C)N1C
InChIInChI=1S/C32H51N3O3/c1-6-7-19-31(37)28-17-11-15-26(35(28)5)22-24(2)23-32(38)29-18-10-13-25(34(29)4)14-12-20-30(36)27-16-8-9-21-33(27)3/h16-18,24-26H,6-15,19-23H2,1-5H3
InChIKeyROMNWVGMGFSONW-UHFFFAOYSA-N
MW525.78 g/mol
LogP6.04
Rot. Bonds14

About 3-methyl-1-[1-methyl-2-[4-(1-methyl-3,4-dihydro-2H-pyridin-6-yl)-4-oxobutyl]-3,4-dihydro-2H-pyridin-6-yl]-4-(1-methyl-6-pentanoyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-one

3-methyl-1-[1-methyl-2-[4-(1-methyl-3,4-dihydro-2H-pyridin-6-yl)-4-oxobutyl]-3,4-dihydro-2H-pyridin-6-yl]-4-(1-methyl-6-pentanoyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-one (PubChem CID 123478837) has the molecular formula C32H51N3O3 and a molecular weight of 525.78 g/mol. Its IUPAC name is 3-methyl-1-[1-methyl-2-[4-(1-methyl-3,4-dihydro-2H-pyridin-6-yl)-4-oxobutyl]-3,4-dihydro-2H-pyridin-6-yl]-4-(1-methyl-6-pentanoyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[1-methyl-2-[4-(1-methyl-3,4-dihydro-2H-pyridin-6-yl)-4-oxobutyl]-3,4-dihydro-2H-pyridin-6-yl]-4-(1-methyl-6-pentanoyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-one
PubChem CID123478837
Molecular FormulaC32H51N3O3
Molecular Weight525.78 g/mol
Exact Mass525.39
IUPAC Name3-methyl-1-[1-methyl-2-[4-(1-methyl-3,4-dihydro-2H-pyridin-6-yl)-4-oxobutyl]-3,4-dihydro-2H-pyridin-6-yl]-4-(1-methyl-6-pentanoyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-one
SMILESCCCCC(=O)C1=CCCC(CC(C)CC(=O)C2=CCCC(CCCC(=O)C3=CCCCN3C)N2C)N1C
InChIInChI=1S/C32H51N3O3/c1-6-7-19-31(37)28-17-11-15-26(35(28)5)22-24(2)23-32(38)29-18-10-13-25(34(29)4)14-12-20-30(36)27-16-8-9-21-33(27)3/h16-18,24-26H,6-15,19-23H2,1-5H3
InChIKeyROMNWVGMGFSONW-UHFFFAOYSA-N
XLogP6.04
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.78
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-1-[1-methyl-2-[4-(1-methyl-3,4-dihydro-2H-pyridin-6-yl)-4-oxobutyl]-3,4-dihydro-2H-pyridin-6-yl]-4-(1-methyl-6-pentanoyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-Ethyl-5-[2-(4-oxo-1-propan-2-ylpiperidin-2-yl)propyl]-1-propan-2-ylpyridin-4-one
CID 156467944
(2E)-2-ethylidene-1-[(3S,5S)-4-[[(3E)-hepta-1,3-dien-4-yl]-propan-2-ylamino]-3,5-dimethylcyclohexen-1-yl]pentan-1-one
CID 163490391

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-methyl-2-[4-(1-methyl-3,4-dihydro-2H-pyridin-6-yl)-4-oxobutyl]-3,4-dihydro-2H-pyridin-6-yl]-4-(1-methyl-6-pentanoyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-one?
The IUPAC name of 3-methyl-1-[1-methyl-2-[4-(1-methyl-3,4-dihydro-2H-pyridin-6-yl)-4-oxobutyl]-3,4-dihydro-2H-pyridin-6-yl]-4-(1-methyl-6-pentanoyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-one (CID 123478837) is 3-methyl-1-[1-methyl-2-[4-(1-methyl-3,4-dihydro-2H-pyridin-6-yl)-4-oxobutyl]-3,4-dihydro-2H-pyridin-6-yl]-4-(1-methyl-6-pentanoyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-one.
What is the SMILES notation for 3-methyl-1-[1-methyl-2-[4-(1-methyl-3,4-dihydro-2H-pyridin-6-yl)-4-oxobutyl]-3,4-dihydro-2H-pyridin-6-yl]-4-(1-methyl-6-pentanoyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-one?
The canonical SMILES for 3-methyl-1-[1-methyl-2-[4-(1-methyl-3,4-dihydro-2H-pyridin-6-yl)-4-oxobutyl]-3,4-dihydro-2H-pyridin-6-yl]-4-(1-methyl-6-pentanoyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-one is CCCCC(=O)C1=CCCC(CC(C)CC(=O)C2=CCCC(CCCC(=O)C3=CCCCN3C)N2C)N1C.
What is the InChIKey of 3-methyl-1-[1-methyl-2-[4-(1-methyl-3,4-dihydro-2H-pyridin-6-yl)-4-oxobutyl]-3,4-dihydro-2H-pyridin-6-yl]-4-(1-methyl-6-pentanoyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-one?
The InChIKey is ROMNWVGMGFSONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H51N3O3/c1-6-7-19-31(37)28-17-11-15-26(35(28)5)22-24(2)23-32(38)29-18-10-13-25(34(29)4)14-12-20-30(36)27-16-8-9-21-33(27)3/h16-18,24-26H,6-15,19-23H2,1-5H3.
What are the key properties of 3-methyl-1-[1-methyl-2-[4-(1-methyl-3,4-dihydro-2H-pyridin-6-yl)-4-oxobutyl]-3,4-dihydro-2H-pyridin-6-yl]-4-(1-methyl-6-pentanoyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-one?
3-methyl-1-[1-methyl-2-[4-(1-methyl-3,4-dihydro-2H-pyridin-6-yl)-4-oxobutyl]-3,4-dihydro-2H-pyridin-6-yl]-4-(1-methyl-6-pentanoyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-one has a molecular weight of 525.78 g/mol, XLogP of 6.04, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-methyl-2-[4-(1-methyl-3,4-dihydro-2H-pyridin-6-yl)-4-oxobutyl]-3,4-dihydro-2H-pyridin-6-yl]-4-(1-methyl-6-pentanoyl-3,4-dihydro-2H-pyridin-2-yl)butan-1-one is sourced from PubChem (CID 123478837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).