(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine

C14H17N3O — CID 28712310

IUPAC(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine
SMILESCOc1ccc(CN[C@@H](C)c2cccnc2)cn1
InChIInChI=1S/C14H17N3O/c1-11(13-4-3-7-15-10-13)16-8-12-5-6-14(18-2)17-9-12/h3-7,9-11,16H,8H2,1-2H3/t11-/m0/s1
InChIKeyYLEQVPNOCUUCJV-NSHDSACASA-N
MW243.31 g/mol
LogP2.34
Rot. Bonds5

About (1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine

(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine (PubChem CID 28712310) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine
PubChem CID28712310
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine
SMILESCOc1ccc(CN[C@@H](C)c2cccnc2)cn1
InChIInChI=1S/C14H17N3O/c1-11(13-4-3-7-15-10-13)16-8-12-5-6-14(18-2)17-9-12/h3-7,9-11,16H,8H2,1-2H3/t11-/m0/s1
InChIKeyYLEQVPNOCUUCJV-NSHDSACASA-N
XLogP2.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712228
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712225
(1R)-1-(3-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 28712390
(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
CID 79032772
1-(4-iodophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 43770459
N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 43206290
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732
(1R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 78978073
N-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 43181726
(1R)-N-[[4-(difluoromethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
CID 115524164
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 43206293
N-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 79979049

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine?
The IUPAC name of (1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine (CID 28712310) is (1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for (1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine is COc1ccc(CN[C@@H](C)c2cccnc2)cn1.
What is the InChIKey of (1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine?
The InChIKey is YLEQVPNOCUUCJV-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O/c1-11(13-4-3-7-15-10-13)16-8-12-5-6-14(18-2)17-9-12/h3-7,9-11,16H,8H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine?
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine has a molecular weight of 243.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 28712310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).