N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine

C18H28N4O2 — CID 51105424

IUPACN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine
SMILESCOc1c(C)cnc(CNCc2c(C(C)C)nn(C)c2OC)c1C
InChIInChI=1S/C18H28N4O2/c1-11(2)16-14(18(24-7)22(5)21-16)9-19-10-15-13(4)17(23-6)12(3)8-20-15/h8,11,19H,9-10H2,1-7H3
InChIKeyWIHJNPZZVJFTEH-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.86
Rot. Bonds7

About N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine (PubChem CID 51105424) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine
PubChem CID51105424
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine
SMILESCOc1c(C)cnc(CNCc2c(C(C)C)nn(C)c2OC)c1C
InChIInChI=1S/C18H28N4O2/c1-11(2)16-14(18(24-7)22(5)21-16)9-19-10-15-13(4)17(23-6)12(3)8-20-15/h8,11,19H,9-10H2,1-7H3
InChIKeyWIHJNPZZVJFTEH-UHFFFAOYSA-N
XLogP2.86
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine?
The IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine (CID 51105424) is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine is COc1c(C)cnc(CNCc2c(C(C)C)nn(C)c2OC)c1C.
What is the InChIKey of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine?
The InChIKey is WIHJNPZZVJFTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-11(2)16-14(18(24-7)22(5)21-16)9-19-10-15-13(4)17(23-6)12(3)8-20-15/h8,11,19H,9-10H2,1-7H3.
What are the key properties of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine?
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine has a molecular weight of 332.45 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine is sourced from PubChem (CID 51105424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).