3-[(3,5-dichloro-2-pyridinyl)-(propylamino)methyl]-5-methylpyridin-2-amine

C15H18Cl2N4 — CID 79783902

IUPAC3-[(3,5-dichloro-2-pyridinyl)-(propylamino)methyl]-5-methylpyridin-2-amine
SMILESCCCNC(c1cc(C)cnc1N)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2N4/c1-3-4-19-13(11-5-9(2)7-21-15(11)18)14-12(17)6-10(16)8-20-14/h5-8,13,19H,3-4H2,1-2H3,(H2,18,21)
InChIKeyKRFBFMJNVZIVIC-UHFFFAOYSA-N
MW325.24 g/mol
LogP3.76
Rot. Bonds5

About 3-[(3,5-dichloro-2-pyridinyl)-(propylamino)methyl]-5-methylpyridin-2-amine

3-[(3,5-dichloro-2-pyridinyl)-(propylamino)methyl]-5-methylpyridin-2-amine (PubChem CID 79783902) has the molecular formula C15H18Cl2N4 and a molecular weight of 325.24 g/mol. Its IUPAC name is 3-[(3,5-dichloro-2-pyridinyl)-(propylamino)methyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[(3,5-dichloro-2-pyridinyl)-(propylamino)methyl]-5-methylpyridin-2-amine
PubChem CID79783902
Molecular FormulaC15H18Cl2N4
Molecular Weight325.24 g/mol
Exact Mass324.09
IUPAC Name3-[(3,5-dichloro-2-pyridinyl)-(propylamino)methyl]-5-methylpyridin-2-amine
SMILESCCCNC(c1cc(C)cnc1N)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2N4/c1-3-4-19-13(11-5-9(2)7-21-15(11)18)14-12(17)6-10(16)8-20-14/h5-8,13,19H,3-4H2,1-2H3,(H2,18,21)
InChIKeyKRFBFMJNVZIVIC-UHFFFAOYSA-N
XLogP3.76
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3-[(4-methyl-3-pyridinyl)-(propylamino)methyl]pyridin-2-amine
CID 114878633
5-chloro-3-[(4-methylsulfanylphenyl)-(propylamino)methyl]pyridin-2-amine
CID 106848461
5-chloro-3-[(2-fluoro-3-methylphenyl)-(propylamino)methyl]pyridin-2-amine
CID 107111572
N-[(3,5-dichloro-2-pyridinyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 79781062
3-[2,2-diethoxy-1-(propylamino)ethyl]-5-methylpyridin-2-amine
CID 79495031
N-[(3,5-dichloro-2-pyridinyl)-(2,3-difluoro-4-methylphenyl)methyl]ethanamine
CID 107513634
N-[(5-bromo-3-methyltriazol-4-yl)-(3,5-dichloro-2-pyridinyl)methyl]propan-1-amine
CID 106462739
3-[(2-chlorophenyl)-hydrazinylmethyl]-5-methylpyridin-2-amine
CID 105211209
N-[1-(3,5-dichloro-2-pyridinyl)-2-methoxyethyl]propan-1-amine
CID 79780092
3-[(3-chloro-2-pyridinyl)-(methylamino)methyl]-5-methylpyridin-2-amine
CID 103444339
3-[cyclooctyl(propylamino)methyl]-5-methylpyridin-2-amine
CID 80610949
N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 103444897

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dichloro-2-pyridinyl)-(propylamino)methyl]-5-methylpyridin-2-amine?
The IUPAC name of 3-[(3,5-dichloro-2-pyridinyl)-(propylamino)methyl]-5-methylpyridin-2-amine (CID 79783902) is 3-[(3,5-dichloro-2-pyridinyl)-(propylamino)methyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 3-[(3,5-dichloro-2-pyridinyl)-(propylamino)methyl]-5-methylpyridin-2-amine?
The canonical SMILES for 3-[(3,5-dichloro-2-pyridinyl)-(propylamino)methyl]-5-methylpyridin-2-amine is CCCNC(c1cc(C)cnc1N)c1ncc(Cl)cc1Cl.
What is the InChIKey of 3-[(3,5-dichloro-2-pyridinyl)-(propylamino)methyl]-5-methylpyridin-2-amine?
The InChIKey is KRFBFMJNVZIVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4/c1-3-4-19-13(11-5-9(2)7-21-15(11)18)14-12(17)6-10(16)8-20-14/h5-8,13,19H,3-4H2,1-2H3,(H2,18,21).
What are the key properties of 3-[(3,5-dichloro-2-pyridinyl)-(propylamino)methyl]-5-methylpyridin-2-amine?
3-[(3,5-dichloro-2-pyridinyl)-(propylamino)methyl]-5-methylpyridin-2-amine has a molecular weight of 325.24 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dichloro-2-pyridinyl)-(propylamino)methyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 79783902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).