3-[(3-chloro-2-pyridinyl)-(methylamino)methyl]-5-methylpyridin-2-amine

C13H15ClN4 — CID 103444339

IUPAC3-[(3-chloro-2-pyridinyl)-(methylamino)methyl]-5-methylpyridin-2-amine
SMILESCNC(c1cc(C)cnc1N)c1ncccc1Cl
InChIInChI=1S/C13H15ClN4/c1-8-6-9(13(15)18-7-8)11(16-2)12-10(14)4-3-5-17-12/h3-7,11,16H,1-2H3,(H2,15,18)
InChIKeyJQWHPFBEIAKDRA-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.33
Rot. Bonds3

About 3-[(3-chloro-2-pyridinyl)-(methylamino)methyl]-5-methylpyridin-2-amine

3-[(3-chloro-2-pyridinyl)-(methylamino)methyl]-5-methylpyridin-2-amine (PubChem CID 103444339) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-[(3-chloro-2-pyridinyl)-(methylamino)methyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[(3-chloro-2-pyridinyl)-(methylamino)methyl]-5-methylpyridin-2-amine
PubChem CID103444339
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name3-[(3-chloro-2-pyridinyl)-(methylamino)methyl]-5-methylpyridin-2-amine
SMILESCNC(c1cc(C)cnc1N)c1ncccc1Cl
InChIInChI=1S/C13H15ClN4/c1-8-6-9(13(15)18-7-8)11(16-2)12-10(14)4-3-5-17-12/h3-7,11,16H,1-2H3,(H2,15,18)
InChIKeyJQWHPFBEIAKDRA-UHFFFAOYSA-N
XLogP2.33
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chloro-2-fluorophenyl)-(methylamino)methyl]-5-methylpyridin-2-amine
CID 64714351
3-[(2-chlorophenyl)-hydrazinylmethyl]-5-methylpyridin-2-amine
CID 105211209
1-(3-chloro-2-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 103444180
1-(3-chloro-2-pyridinyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 103444331
1-(3-chloro-2-pyridinyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 103444275
1-(3-chloro-2-pyridinyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 103444108
1-(3-chloro-2-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 103444277
5-methyl-3-[methylamino-(2,4,6-trifluorophenyl)methyl]pyridin-2-amine
CID 107920733
3-[furan-2-yl(hydrazinyl)methyl]-5-methylpyridin-2-amine
CID 105213707
3-[(3-chlorophenyl)-hydrazinylmethyl]-5-methylpyridin-2-amine
CID 105194796
1-(3-chloro-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 103444187
1-(3-chloro-2-pyridinyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 103444034

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-pyridinyl)-(methylamino)methyl]-5-methylpyridin-2-amine?
The IUPAC name of 3-[(3-chloro-2-pyridinyl)-(methylamino)methyl]-5-methylpyridin-2-amine (CID 103444339) is 3-[(3-chloro-2-pyridinyl)-(methylamino)methyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-[(3-chloro-2-pyridinyl)-(methylamino)methyl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-[(3-chloro-2-pyridinyl)-(methylamino)methyl]-5-methylpyridin-2-amine is CNC(c1cc(C)cnc1N)c1ncccc1Cl.
What is the InChIKey of 3-[(3-chloro-2-pyridinyl)-(methylamino)methyl]-5-methylpyridin-2-amine?
The InChIKey is JQWHPFBEIAKDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-8-6-9(13(15)18-7-8)11(16-2)12-10(14)4-3-5-17-12/h3-7,11,16H,1-2H3,(H2,15,18).
What are the key properties of 3-[(3-chloro-2-pyridinyl)-(methylamino)methyl]-5-methylpyridin-2-amine?
3-[(3-chloro-2-pyridinyl)-(methylamino)methyl]-5-methylpyridin-2-amine has a molecular weight of 262.74 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-pyridinyl)-(methylamino)methyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 103444339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).