1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine

C15H21N3O — CID 79097126

IUPAC1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
SMILESCOc1cccc(Cn2ccc(C(N)C(C)C)c2)n1
InChIInChI=1S/C15H21N3O/c1-11(2)15(16)12-7-8-18(9-12)10-13-5-4-6-14(17-13)19-3/h4-9,11,15H,10,16H2,1-3H3
InChIKeyZGIPESFYCIIORT-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.60
Rot. Bonds5

About 1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine

1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine (PubChem CID 79097126) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
PubChem CID79097126
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
SMILESCOc1cccc(Cn2ccc(C(N)C(C)C)c2)n1
InChIInChI=1S/C15H21N3O/c1-11(2)15(16)12-7-8-18(9-12)10-13-5-4-6-14(17-13)19-3/h4-9,11,15H,10,16H2,1-3H3
InChIKeyZGIPESFYCIIORT-UHFFFAOYSA-N
XLogP2.60
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine (CID 79097126) is 1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine is COc1cccc(Cn2ccc(C(N)C(C)C)c2)n1.
What is the InChIKey of 1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine?
The InChIKey is ZGIPESFYCIIORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)15(16)12-7-8-18(9-12)10-13-5-4-6-14(17-13)19-3/h4-9,11,15H,10,16H2,1-3H3.
What are the key properties of 1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine?
1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 79097126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).