4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine

C12H12ClN3O — CID 114936877

IUPAC4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine
SMILESCOc1ccc(CNc2cnccc2Cl)cn1
InChIInChI=1S/C12H12ClN3O/c1-17-12-3-2-9(7-16-12)6-15-11-8-14-5-4-10(11)13/h2-5,7-8,15H,6H2,1H3
InChIKeyYNQLBYKPVNWUHQ-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.75
Rot. Bonds4

About 4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine

4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine (PubChem CID 114936877) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine
PubChem CID114936877
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine
SMILESCOc1ccc(CNc2cnccc2Cl)cn1
InChIInChI=1S/C12H12ClN3O/c1-17-12-3-2-9(7-16-12)6-15-11-8-14-5-4-10(11)13/h2-5,7-8,15H,6H2,1H3
InChIKeyYNQLBYKPVNWUHQ-UHFFFAOYSA-N
XLogP2.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline
CID 114936385
N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 60710836
N-[(3-bromo-4-methoxyphenyl)methyl]-4-chloropyridin-3-amine
CID 83167833
3-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 55140355
5-bromo-2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine
CID 114051940
N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine
CID 107588350
2,3,4-trifluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936281
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylaniline
CID 114936803
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
3-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 79839877
2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine
CID 62989885
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine?
The IUPAC name of 4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine (CID 114936877) is 4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine.
What is the SMILES notation for 4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine?
The canonical SMILES for 4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine is COc1ccc(CNc2cnccc2Cl)cn1.
What is the InChIKey of 4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine?
The InChIKey is YNQLBYKPVNWUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-17-12-3-2-9(7-16-12)6-15-11-8-14-5-4-10(11)13/h2-5,7-8,15H,6H2,1H3.
What are the key properties of 4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine?
4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine has a molecular weight of 249.70 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyridin-3-amine is sourced from PubChem (CID 114936877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).