N-ethyl-N-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]butan-1-amine

C17H25N3O — CID 4283887

IUPACN-ethyl-N-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]butan-1-amine
SMILESCCCCN(CC)Cc1cccn1-c1ccc(OC)nc1
InChIInChI=1S/C17H25N3O/c1-4-6-11-19(5-2)14-16-8-7-12-20(16)15-9-10-17(21-3)18-13-15/h7-10,12-13H,4-6,11,14H2,1-3H3
InChIKeyQWDDCIDOKKZCIX-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.50
Rot. Bonds8

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

N-ethyl-N-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]butan-1-amine (PubChem CID 4283887) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-ethyl-N-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]butan-1-amine
PubChem CID4283887
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-ethyl-N-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]butan-1-amine
SMILESCCCCN(CC)Cc1cccn1-c1ccc(OC)nc1
InChIInChI=1S/C17H25N3O/c1-4-6-11-19(5-2)14-16-8-7-12-20(16)15-9-10-17(21-3)18-13-15/h7-10,12-13H,4-6,11,14H2,1-3H3
InChIKeyQWDDCIDOKKZCIX-UHFFFAOYSA-N
XLogP3.50
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]butan-1-amine
CID 3901325
N-ethyl-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]ethanamine
CID 4277529
ethyl 1-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]piperidine-4-carboxylate
CID 4209149
2-methoxy-5-pyrrol-1-ylpyridine
CID 4763719
N-(furan-2-ylmethyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]butan-1-amine
CID 46989025
1-(6-methoxy-3-pyridinyl)indole
CID 91806975
1-(4-methoxyphenyl)-2-pentylpyrrole
CID 86037398
5-[3-[(2R)-butan-2-yl]sulfanyl-1,2,4-triazol-4-yl]-2-methoxypyridine
CID 96505989
N,N-bis[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine
CID 138457525
N-[(1-ethylpyrrol-2-yl)methyl]-6-methoxypyridin-3-amine
CID 66411078
2-[ethyl-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]amino]ethanol
CID 3942578
N-butyl-N-[3-(2-methoxyphenoxy)propyl]butan-1-amine
CID 5262106

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]butan-1-amine?
The IUPAC name of N-ethyl-N-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]butan-1-amine (CID 4283887) is N-ethyl-N-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]butan-1-amine.
What is the SMILES notation for N-ethyl-N-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]butan-1-amine?
The canonical SMILES for N-ethyl-N-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]butan-1-amine is CCCCN(CC)Cc1cccn1-c1ccc(OC)nc1.
What is the InChIKey of N-ethyl-N-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]butan-1-amine?
The InChIKey is QWDDCIDOKKZCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-6-11-19(5-2)14-16-8-7-12-20(16)15-9-10-17(21-3)18-13-15/h7-10,12-13H,4-6,11,14H2,1-3H3.
What are the key properties of N-ethyl-N-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]butan-1-amine?
N-ethyl-N-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]butan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-(6-methoxy-3-pyridinyl)pyrrol-2-yl]methyl]butan-1-amine is sourced from PubChem (CID 4283887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).