(1S)-1-(furan-2-yl)-N-methyl-N-[(1-pyridin-4-ylpyrrol-2-yl)methyl]ethanamine

C17H19N3O — CID 95857323

IUPAC(1S)-1-(furan-2-yl)-N-methyl-N-[(1-pyridin-4-ylpyrrol-2-yl)methyl]ethanamine
SMILESC[C@@H](c1ccco1)N(C)Cc1cccn1-c1ccncc1
InChIInChI=1S/C17H19N3O/c1-14(17-6-4-12-21-17)19(2)13-16-5-3-11-20(16)15-7-9-18-10-8-15/h3-12,14H,13H2,1-2H3/t14-/m0/s1
InChIKeySWEZNQJICSXDKR-AWEZNQCLSA-N
MW281.36 g/mol
LogP3.66
Rot. Bonds5

About (1S)-1-(furan-2-yl)-N-methyl-N-[(1-pyridin-4-ylpyrrol-2-yl)methyl]ethanamine

(1S)-1-(furan-2-yl)-N-methyl-N-[(1-pyridin-4-ylpyrrol-2-yl)methyl]ethanamine (PubChem CID 95857323) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (1S)-1-(furan-2-yl)-N-methyl-N-[(1-pyridin-4-ylpyrrol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(furan-2-yl)-N-methyl-N-[(1-pyridin-4-ylpyrrol-2-yl)methyl]ethanamine
PubChem CID95857323
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(1S)-1-(furan-2-yl)-N-methyl-N-[(1-pyridin-4-ylpyrrol-2-yl)methyl]ethanamine
SMILESC[C@@H](c1ccco1)N(C)Cc1cccn1-c1ccncc1
InChIInChI=1S/C17H19N3O/c1-14(17-6-4-12-21-17)19(2)13-16-5-3-11-20(16)15-7-9-18-10-8-15/h3-12,14H,13H2,1-2H3/t14-/m0/s1
InChIKeySWEZNQJICSXDKR-AWEZNQCLSA-N
XLogP3.66
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(furan-2-yl)-N-methyl-N-[(1-pyridin-4-ylpyrrol-2-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(furan-2-yl)-N-methyl-N-[(1-pyridin-4-ylpyrrol-2-yl)methyl]ethanamine (CID 95857323) is (1S)-1-(furan-2-yl)-N-methyl-N-[(1-pyridin-4-ylpyrrol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(furan-2-yl)-N-methyl-N-[(1-pyridin-4-ylpyrrol-2-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(furan-2-yl)-N-methyl-N-[(1-pyridin-4-ylpyrrol-2-yl)methyl]ethanamine is C[C@@H](c1ccco1)N(C)Cc1cccn1-c1ccncc1.
What is the InChIKey of (1S)-1-(furan-2-yl)-N-methyl-N-[(1-pyridin-4-ylpyrrol-2-yl)methyl]ethanamine?
The InChIKey is SWEZNQJICSXDKR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N3O/c1-14(17-6-4-12-21-17)19(2)13-16-5-3-11-20(16)15-7-9-18-10-8-15/h3-12,14H,13H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-1-(furan-2-yl)-N-methyl-N-[(1-pyridin-4-ylpyrrol-2-yl)methyl]ethanamine?
(1S)-1-(furan-2-yl)-N-methyl-N-[(1-pyridin-4-ylpyrrol-2-yl)methyl]ethanamine has a molecular weight of 281.36 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(furan-2-yl)-N-methyl-N-[(1-pyridin-4-ylpyrrol-2-yl)methyl]ethanamine is sourced from PubChem (CID 95857323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).