3-[3-(6-chloro-3-pyridinyl)propyl]-6-methyl-N-phenylpyridin-2-amine

C20H20ClN3 — CID 87549970

IUPAC3-[3-(6-chloro-3-pyridinyl)propyl]-6-methyl-N-phenylpyridin-2-amine
SMILESCc1ccc(CCCc2ccc(Cl)nc2)c(Nc2ccccc2)n1
InChIInChI=1S/C20H20ClN3/c1-15-10-12-17(7-5-6-16-11-13-19(21)22-14-16)20(23-15)24-18-8-3-2-4-9-18/h2-4,8-14H,5-7H2,1H3,(H,23,24)
InChIKeyCFXVDIFPOPIMBZ-UHFFFAOYSA-N
MW337.85 g/mol
LogP5.36
Rot. Bonds6

About 3-[3-(6-chloro-3-pyridinyl)propyl]-6-methyl-N-phenylpyridin-2-amine

3-[3-(6-chloro-3-pyridinyl)propyl]-6-methyl-N-phenylpyridin-2-amine (PubChem CID 87549970) has the molecular formula C20H20ClN3 and a molecular weight of 337.85 g/mol. Its IUPAC name is 3-[3-(6-chloro-3-pyridinyl)propyl]-6-methyl-N-phenylpyridin-2-amine.

Molecular Properties

Compound Name3-[3-(6-chloro-3-pyridinyl)propyl]-6-methyl-N-phenylpyridin-2-amine
PubChem CID87549970
Molecular FormulaC20H20ClN3
Molecular Weight337.85 g/mol
Exact Mass337.13
IUPAC Name3-[3-(6-chloro-3-pyridinyl)propyl]-6-methyl-N-phenylpyridin-2-amine
SMILESCc1ccc(CCCc2ccc(Cl)nc2)c(Nc2ccccc2)n1
InChIInChI=1S/C20H20ClN3/c1-15-10-12-17(7-5-6-16-11-13-19(21)22-14-16)20(23-15)24-18-8-3-2-4-9-18/h2-4,8-14H,5-7H2,1H3,(H,23,24)
InChIKeyCFXVDIFPOPIMBZ-UHFFFAOYSA-N
XLogP5.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.85
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-chloro-3-pyridinyl)propyl]-6-methyl-N-phenylpyridin-2-amine?
The IUPAC name of 3-[3-(6-chloro-3-pyridinyl)propyl]-6-methyl-N-phenylpyridin-2-amine (CID 87549970) is 3-[3-(6-chloro-3-pyridinyl)propyl]-6-methyl-N-phenylpyridin-2-amine.
What is the SMILES notation for 3-[3-(6-chloro-3-pyridinyl)propyl]-6-methyl-N-phenylpyridin-2-amine?
The canonical SMILES for 3-[3-(6-chloro-3-pyridinyl)propyl]-6-methyl-N-phenylpyridin-2-amine is Cc1ccc(CCCc2ccc(Cl)nc2)c(Nc2ccccc2)n1.
What is the InChIKey of 3-[3-(6-chloro-3-pyridinyl)propyl]-6-methyl-N-phenylpyridin-2-amine?
The InChIKey is CFXVDIFPOPIMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3/c1-15-10-12-17(7-5-6-16-11-13-19(21)22-14-16)20(23-15)24-18-8-3-2-4-9-18/h2-4,8-14H,5-7H2,1H3,(H,23,24).
What are the key properties of 3-[3-(6-chloro-3-pyridinyl)propyl]-6-methyl-N-phenylpyridin-2-amine?
3-[3-(6-chloro-3-pyridinyl)propyl]-6-methyl-N-phenylpyridin-2-amine has a molecular weight of 337.85 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(6-chloro-3-pyridinyl)propyl]-6-methyl-N-phenylpyridin-2-amine is sourced from PubChem (CID 87549970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).