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

C23H28ClN3 — CID 144782548

IUPAC2-(4-chlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine
SMILESCCCN(CCC)c1cccnc1-c1ccc(Cl)cc1.Cc1ccncc1
InChIInChI=1S/C17H21ClN2.C6H7N/c1-3-12-20(13-4-2)16-6-5-11-19-17(16)14-7-9-15(18)10-8-14;1-6-2-4-7-5-3-6/h5-11H,3-4,12-13H2,1-2H3;2-5H,1H3
InChIKeyLMWZNPBVJYQLHY-UHFFFAOYSA-N
MW381.95 g/mol
LogP6.42
Rot. Bonds6

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

2-(4-chlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine (PubChem CID 144782548) has the molecular formula C23H28ClN3 and a molecular weight of 381.95 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine
PubChem CID144782548
Molecular FormulaC23H28ClN3
Molecular Weight381.95 g/mol
Exact Mass381.20
IUPAC Name2-(4-chlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine
SMILESCCCN(CCC)c1cccnc1-c1ccc(Cl)cc1.Cc1ccncc1
InChIInChI=1S/C17H21ClN2.C6H7N/c1-3-12-20(13-4-2)16-6-5-11-19-17(16)14-7-9-15(18)10-8-14;1-6-2-4-7-5-3-6/h5-11H,3-4,12-13H2,1-2H3;2-5H,1H3
InChIKeyLMWZNPBVJYQLHY-UHFFFAOYSA-N
XLogP6.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.95
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine?
The IUPAC name of 2-(4-chlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine (CID 144782548) is 2-(4-chlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine?
The canonical SMILES for 2-(4-chlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine is CCCN(CCC)c1cccnc1-c1ccc(Cl)cc1.Cc1ccncc1.
What is the InChIKey of 2-(4-chlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine?
The InChIKey is LMWZNPBVJYQLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2.C6H7N/c1-3-12-20(13-4-2)16-6-5-11-19-17(16)14-7-9-15(18)10-8-14;1-6-2-4-7-5-3-6/h5-11H,3-4,12-13H2,1-2H3;2-5H,1H3.
What are the key properties of 2-(4-chlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine?
2-(4-chlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine has a molecular weight of 381.95 g/mol, XLogP of 6.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N,N-dipropylpyridin-3-amine;4-methylpyridine is sourced from PubChem (CID 144782548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).