2-(3,4-dichlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine

C23H27Cl2N3 — CID 144782568

IUPAC2-(3,4-dichlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine
SMILESCCCN(CCC)c1cccnc1-c1ccc(Cl)c(Cl)c1.Cc1ccncc1
InChIInChI=1S/C17H20Cl2N2.C6H7N/c1-3-10-21(11-4-2)16-6-5-9-20-17(16)13-7-8-14(18)15(19)12-13;1-6-2-4-7-5-3-6/h5-9,12H,3-4,10-11H2,1-2H3;2-5H,1H3
InChIKeyXKRSQBOCOHJWCT-UHFFFAOYSA-N
MW416.40 g/mol
LogP7.07
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine

2-(3,4-dichlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine (PubChem CID 144782568) has the molecular formula C23H27Cl2N3 and a molecular weight of 416.40 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine
PubChem CID144782568
Molecular FormulaC23H27Cl2N3
Molecular Weight416.40 g/mol
Exact Mass415.16
IUPAC Name2-(3,4-dichlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine
SMILESCCCN(CCC)c1cccnc1-c1ccc(Cl)c(Cl)c1.Cc1ccncc1
InChIInChI=1S/C17H20Cl2N2.C6H7N/c1-3-10-21(11-4-2)16-6-5-9-20-17(16)13-7-8-14(18)15(19)12-13;1-6-2-4-7-5-3-6/h5-9,12H,3-4,10-11H2,1-2H3;2-5H,1H3
InChIKeyXKRSQBOCOHJWCT-UHFFFAOYSA-N
XLogP7.07
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.40
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine?
The IUPAC name of 2-(3,4-dichlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine (CID 144782568) is 2-(3,4-dichlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine is CCCN(CCC)c1cccnc1-c1ccc(Cl)c(Cl)c1.Cc1ccncc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine?
The InChIKey is XKRSQBOCOHJWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2.C6H7N/c1-3-10-21(11-4-2)16-6-5-9-20-17(16)13-7-8-14(18)15(19)12-13;1-6-2-4-7-5-3-6/h5-9,12H,3-4,10-11H2,1-2H3;2-5H,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine?
2-(3,4-dichlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine has a molecular weight of 416.40 g/mol, XLogP of 7.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine is sourced from PubChem (CID 144782568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).