(1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine

C16H21N3O — CID 81406746

IUPAC(1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine
SMILESCOc1c(C)cnc(CN[C@H](C)c2ccccn2)c1C
InChIInChI=1S/C16H21N3O/c1-11-9-19-15(12(2)16(11)20-4)10-18-13(3)14-7-5-6-8-17-14/h5-9,13,18H,10H2,1-4H3/t13-/m1/s1
InChIKeyFDVUDGROWUNKEY-CYBMUJFWSA-N
MW271.36 g/mol
LogP2.95
Rot. Bonds5

About (1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine

(1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine (PubChem CID 81406746) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine
PubChem CID81406746
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine
SMILESCOc1c(C)cnc(CN[C@H](C)c2ccccn2)c1C
InChIInChI=1S/C16H21N3O/c1-11-9-19-15(12(2)16(11)20-4)10-18-13(3)14-7-5-6-8-17-14/h5-9,13,18H,10H2,1-4H3/t13-/m1/s1
InChIKeyFDVUDGROWUNKEY-CYBMUJFWSA-N
XLogP2.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine with MolForge

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Launch Full Analysis

Related Compounds

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-phenylpropan-2-amine
CID 63011439
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 43534519
(1S)-1-(3-fluorophenyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine
CID 81352653
4-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-2-amine
CID 83188547
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpentan-3-amine
CID 54954917
1-pyridin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 47008253
N-[(6-methoxy-3-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 43206290
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
(1R)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401851
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-4-methylpentan-1-ol
CID 61246593
1-pyridin-2-yl-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43181287
benzyl (2R)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylamino]-3-phenylpropanoate
CID 59465193

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine (CID 81406746) is (1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine is COc1c(C)cnc(CN[C@H](C)c2ccccn2)c1C.
What is the InChIKey of (1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine?
The InChIKey is FDVUDGROWUNKEY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-9-19-15(12(2)16(11)20-4)10-18-13(3)14-7-5-6-8-17-14/h5-9,13,18H,10H2,1-4H3/t13-/m1/s1.
What are the key properties of (1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine?
(1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine has a molecular weight of 271.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 81406746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).