6-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine

C17H21N3O — CID 43755835

IUPAC6-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine
SMILESCOc1ccc(NCc2ccc(N3CCCC3)cc2)cn1
InChIInChI=1S/C17H21N3O/c1-21-17-9-6-15(13-19-17)18-12-14-4-7-16(8-5-14)20-10-2-3-11-20/h4-9,13,18H,2-3,10-12H2,1H3
InChIKeyIBQKPOXUIVRPDO-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.30
Rot. Bonds5

About 6-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine

6-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine (PubChem CID 43755835) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 6-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine
PubChem CID43755835
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name6-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine
SMILESCOc1ccc(NCc2ccc(N3CCCC3)cc2)cn1
InChIInChI=1S/C17H21N3O/c1-21-17-9-6-15(13-19-17)18-12-14-4-7-16(8-5-14)20-10-2-3-11-20/h4-9,13,18H,2-3,10-12H2,1H3
InChIKeyIBQKPOXUIVRPDO-UHFFFAOYSA-N
XLogP3.30
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282422
2-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43757794
N-benzyl-4-pyrrolidin-1-ylaniline
CID 918774
6-methoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine
CID 19874084
6-N-[(4-methoxyphenyl)methyl]-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112860298
4-[(4-piperidin-1-ylanilino)methyl]aniline
CID 83949136
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936268
6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
CID 78851491
N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine
CID 62128287
N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63061073
N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine
CID 107588350

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine?
The IUPAC name of 6-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine (CID 43755835) is 6-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 6-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine is COc1ccc(NCc2ccc(N3CCCC3)cc2)cn1.
What is the InChIKey of 6-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine?
The InChIKey is IBQKPOXUIVRPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-21-17-9-6-15(13-19-17)18-12-14-4-7-16(8-5-14)20-10-2-3-11-20/h4-9,13,18H,2-3,10-12H2,1H3.
What are the key properties of 6-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine?
6-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine has a molecular weight of 283.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 43755835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).