2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine

C14H19N3O — CID 62473316

IUPAC2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine
SMILESCOc1ncccc1NCc1cc(C)n(C)c1C
InChIInChI=1S/C14H19N3O/c1-10-8-12(11(2)17(10)3)9-16-13-6-5-7-15-14(13)18-4/h5-8,16H,9H2,1-4H3
InChIKeyQCQBIXAKFIARBI-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.66
Rot. Bonds4

About 2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine

2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine (PubChem CID 62473316) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine
PubChem CID62473316
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine
SMILESCOc1ncccc1NCc1cc(C)n(C)c1C
InChIInChI=1S/C14H19N3O/c1-10-8-12(11(2)17(10)3)9-16-13-6-5-7-15-14(13)18-4/h5-8,16H,9H2,1-4H3
InChIKeyQCQBIXAKFIARBI-UHFFFAOYSA-N
XLogP2.66
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine?
The IUPAC name of 2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine (CID 62473316) is 2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine?
The canonical SMILES for 2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine is COc1ncccc1NCc1cc(C)n(C)c1C.
What is the InChIKey of 2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine?
The InChIKey is QCQBIXAKFIARBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-8-12(11(2)17(10)3)9-16-13-6-5-7-15-14(13)18-4/h5-8,16H,9H2,1-4H3.
What are the key properties of 2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine?
2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine has a molecular weight of 245.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 62473316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).