1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-amine

C17H25N3O — CID 79109512

IUPAC1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-amine
SMILESCCCC(N)c1ccn(Cc2ncc(C)c(OC)c2C)c1
InChIInChI=1S/C17H25N3O/c1-5-6-15(18)14-7-8-20(10-14)11-16-13(3)17(21-4)12(2)9-19-16/h7-10,15H,5-6,11,18H2,1-4H3
InChIKeySZFPNFOJABJBBV-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.36
Rot. Bonds6

About 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-amine

1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-amine (PubChem CID 79109512) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-amine.

Molecular Properties

Compound Name1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-amine
PubChem CID79109512
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-amine
SMILESCCCC(N)c1ccn(Cc2ncc(C)c(OC)c2C)c1
InChIInChI=1S/C17H25N3O/c1-5-6-15(18)14-7-8-20(10-14)11-16-13(3)17(21-4)12(2)9-19-16/h7-10,15H,5-6,11,18H2,1-4H3
InChIKeySZFPNFOJABJBBV-UHFFFAOYSA-N
XLogP3.36
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine
CID 66404064
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pentan-2-amine
CID 62601079
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine
CID 115844000
N-[[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]methyl]cyclopropanamine
CID 66405969
1-[1-[(5-bromo-3-pyridinyl)methyl]pyrrol-3-yl]butan-1-amine
CID 104801337
2-[[4-(1-chloropropyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
CID 62732030
2-[[3-(difluoromethyl)azetidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
CID 171994399
1-[1-[2-(2-methoxyphenoxy)ethyl]pyrrol-3-yl]butan-1-amine
CID 79108388
2-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-1-ol
CID 64574563
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrimidin-5-ylethanamine
CID 102923368
1-[1-[(2,6-difluorophenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 114930925
1-[1-(3-methylbutyl)pyrrol-3-yl]butan-1-amine
CID 79107801

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-amine?
The IUPAC name of 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-amine (CID 79109512) is 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-amine.
What is the SMILES notation for 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-amine?
The canonical SMILES for 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-amine is CCCC(N)c1ccn(Cc2ncc(C)c(OC)c2C)c1.
What is the InChIKey of 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-amine?
The InChIKey is SZFPNFOJABJBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-6-15(18)14-7-8-20(10-14)11-16-13(3)17(21-4)12(2)9-19-16/h7-10,15H,5-6,11,18H2,1-4H3.
What are the key properties of 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-amine?
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrol-3-yl]butan-1-amine is sourced from PubChem (CID 79109512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).