1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]propan-1-one

C14H16N2O2 — CID 79099502

IUPAC1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]propan-1-one
SMILESCCC(=O)c1ccn(Cc2cccc(OC)n2)c1
InChIInChI=1S/C14H16N2O2/c1-3-13(17)11-7-8-16(9-11)10-12-5-4-6-14(15-12)18-2/h4-9H,3,10H2,1-2H3
InChIKeyVMVBOMCOJBRHOY-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.53
Rot. Bonds5

About 1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]propan-1-one

1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]propan-1-one (PubChem CID 79099502) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]propan-1-one
PubChem CID79099502
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]propan-1-one
SMILESCCC(=O)c1ccn(Cc2cccc(OC)n2)c1
InChIInChI=1S/C14H16N2O2/c1-3-13(17)11-7-8-16(9-11)10-12-5-4-6-14(15-12)18-2/h4-9H,3,10H2,1-2H3
InChIKeyVMVBOMCOJBRHOY-UHFFFAOYSA-N
XLogP2.53
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]ethanone
CID 79107045
1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79097126
1-[4-[(6-methoxy-2-pyridinyl)methoxy]phenyl]propan-1-one
CID 63984310
1-[1-[(2,6-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-one
CID 79098872
1-[(6-methoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82902409
1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one
CID 79098174
2-ethyl-6-methoxypyridine;formic acid
CID 175480647
1-[1-[(3-bromo-4-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-one
CID 79098854
1-(6-methoxy-2-pyridinyl)-2-methylpentan-3-one
CID 79416635
1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-one
CID 79098304
1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-3-yl]propan-1-one
CID 79098419
1-[(6-methoxy-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 63987109

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]propan-1-one?
The IUPAC name of 1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]propan-1-one (CID 79099502) is 1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]propan-1-one.
What is the SMILES notation for 1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]propan-1-one?
The canonical SMILES for 1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]propan-1-one is CCC(=O)c1ccn(Cc2cccc(OC)n2)c1.
What is the InChIKey of 1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]propan-1-one?
The InChIKey is VMVBOMCOJBRHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-13(17)11-7-8-16(9-11)10-12-5-4-6-14(15-12)18-2/h4-9H,3,10H2,1-2H3.
What are the key properties of 1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]propan-1-one?
1-[1-[(6-methoxy-2-pyridinyl)methyl]pyrrol-3-yl]propan-1-one has a molecular weight of 244.29 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 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]propan-1-one is sourced from PubChem (CID 79099502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).