1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-pyridin-3-ylpropan-2-amine

C16H21N3O — CID 62604362

IUPAC1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-pyridin-3-ylpropan-2-amine
SMILESCOc1c(C)cnc(CC(N)Cc2cccnc2)c1C
InChIInChI=1S/C16H21N3O/c1-11-9-19-15(12(2)16(11)20-3)8-14(17)7-13-5-4-6-18-10-13/h4-6,9-10,14H,7-8,17H2,1-3H3
InChIKeyKHKJTAAEIFQSEP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.21
Rot. Bonds5

About 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-pyridin-3-ylpropan-2-amine

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-pyridin-3-ylpropan-2-amine (PubChem CID 62604362) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-pyridin-3-ylpropan-2-amine
PubChem CID62604362
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-pyridin-3-ylpropan-2-amine
SMILESCOc1c(C)cnc(CC(N)Cc2cccnc2)c1C
InChIInChI=1S/C16H21N3O/c1-11-9-19-15(12(2)16(11)20-3)8-14(17)7-13-5-4-6-18-10-13/h4-6,9-10,14H,7-8,17H2,1-3H3
InChIKeyKHKJTAAEIFQSEP-UHFFFAOYSA-N
XLogP2.21
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-1-ol
CID 64574563
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pentan-2-amine
CID 62601079
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 62603573
4,4,4-trifluoro-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-2-amine
CID 55095222
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pent-4-en-2-amine
CID 116660339
[1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-phenylpropan-2-yl]hydrazine
CID 105195369
[2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine
CID 105279925
1,1-dimethoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-2-amine
CID 79493128
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrimidin-5-ylethanamine
CID 102923368
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-(2-methoxyethoxy)butan-2-amine
CID 102927982
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine
CID 94470637

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-pyridin-3-ylpropan-2-amine?
The IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-pyridin-3-ylpropan-2-amine (CID 62604362) is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-pyridin-3-ylpropan-2-amine?
The canonical SMILES for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-pyridin-3-ylpropan-2-amine is COc1c(C)cnc(CC(N)Cc2cccnc2)c1C.
What is the InChIKey of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-pyridin-3-ylpropan-2-amine?
The InChIKey is KHKJTAAEIFQSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-9-19-15(12(2)16(11)20-3)8-14(17)7-13-5-4-6-18-10-13/h4-6,9-10,14H,7-8,17H2,1-3H3.
What are the key properties of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-pyridin-3-ylpropan-2-amine?
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-pyridin-3-ylpropan-2-amine has a molecular weight of 271.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 62604362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).