7-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-5-methylheptan-2-one

C16H26N2O2 — CID 116581697

IUPAC7-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-5-methylheptan-2-one
SMILESCOc1c(C)cnc(CC(=O)CCC(C)CCN)c1C
InChIInChI=1S/C16H26N2O2/c1-11(7-8-17)5-6-14(19)9-15-13(3)16(20-4)12(2)10-18-15/h10-11H,5-9,17H2,1-4H3
InChIKeySXZDKOSDTOOWEO-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.58
Rot. Bonds8

About 7-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-5-methylheptan-2-one

7-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-5-methylheptan-2-one (PubChem CID 116581697) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 7-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-5-methylheptan-2-one.

Molecular Properties

Compound Name7-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-5-methylheptan-2-one
PubChem CID116581697
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name7-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-5-methylheptan-2-one
SMILESCOc1c(C)cnc(CC(=O)CCC(C)CCN)c1C
InChIInChI=1S/C16H26N2O2/c1-11(7-8-17)5-6-14(19)9-15-13(3)16(20-4)12(2)10-18-15/h10-11H,5-9,17H2,1-4H3
InChIKeySXZDKOSDTOOWEO-UHFFFAOYSA-N
XLogP2.58
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 62620221
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(methylamino)butan-2-one
CID 116561189
1-(4-aminophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116548821
3-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-N-methylbutane-1,3-diamine
CID 63225867
3-amino-4-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-one
CID 116594134
1-(2-bromophenyl)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-one
CID 62829657
1-(3-bicyclo[3.1.0]hexanyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 114968264
1-(4-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 62620937
1-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-phenylpropan-2-one
CID 116551277
1-chloro-1,1-difluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-one
CID 112574809
7-amino-1-(2-methoxyphenyl)-5-methylheptan-2-one
CID 116581758
1-(3-aminophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116548641

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-5-methylheptan-2-one?
The IUPAC name of 7-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-5-methylheptan-2-one (CID 116581697) is 7-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-5-methylheptan-2-one.
What is the SMILES notation for 7-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-5-methylheptan-2-one?
The canonical SMILES for 7-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-5-methylheptan-2-one is COc1c(C)cnc(CC(=O)CCC(C)CCN)c1C.
What is the InChIKey of 7-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-5-methylheptan-2-one?
The InChIKey is SXZDKOSDTOOWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(7-8-17)5-6-14(19)9-15-13(3)16(20-4)12(2)10-18-15/h10-11H,5-9,17H2,1-4H3.
What are the key properties of 7-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-5-methylheptan-2-one?
7-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-5-methylheptan-2-one has a molecular weight of 278.40 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-5-methylheptan-2-one is sourced from PubChem (CID 116581697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).