4-methyl-2-(1-phenyltridecyl)pyridine

C25H37N — CID 174881850

IUPAC4-methyl-2-(1-phenyltridecyl)pyridine
SMILESCCCCCCCCCCCCC(c1ccccc1)c1cc(C)ccn1
InChIInChI=1S/C25H37N/c1-3-4-5-6-7-8-9-10-11-15-18-24(23-16-13-12-14-17-23)25-21-22(2)19-20-26-25/h12-14,16-17,19-21,24H,3-11,15,18H2,1-2H3
InChIKeyNVPFNEYHNMSATP-UHFFFAOYSA-N
MW351.58 g/mol
LogP7.83
Rot. Bonds13

About 4-methyl-2-(1-phenyltridecyl)pyridine

4-methyl-2-(1-phenyltridecyl)pyridine (PubChem CID 174881850) has the molecular formula C25H37N and a molecular weight of 351.58 g/mol. Its IUPAC name is 4-methyl-2-(1-phenyltridecyl)pyridine.

Molecular Properties

Compound Name4-methyl-2-(1-phenyltridecyl)pyridine
PubChem CID174881850
Molecular FormulaC25H37N
Molecular Weight351.58 g/mol
Exact Mass351.29
IUPAC Name4-methyl-2-(1-phenyltridecyl)pyridine
SMILESCCCCCCCCCCCCC(c1ccccc1)c1cc(C)ccn1
InChIInChI=1S/C25H37N/c1-3-4-5-6-7-8-9-10-11-15-18-24(23-16-13-12-14-17-23)25-21-22(2)19-20-26-25/h12-14,16-17,19-21,24H,3-11,15,18H2,1-2H3
InChIKeyNVPFNEYHNMSATP-UHFFFAOYSA-N
XLogP7.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methyl-2-pyridinyl)tridecan-1-ol
CID 63840083
N-ethyl-1-(4-methyl-2-pyridinyl)undecan-1-amine
CID 63839591
1-(4-methyl-2-pyridinyl)-N-propyldecan-1-amine
CID 63840406
1-(1-phenyltridecyl)isoquinoline
CID 154136877
(4-methyl-2-pyridinyl)-phenylmethanamine
CID 571849
1-phenylheptylphosphane
CID 174874892
1-phenyldecan-1-amine
CID 43175860
N-ethyl-N-methylethanamine;1-phenylheptylbenzene
CID 18402602
2-tridecan-6-ylpyridine
CID 139295924
1-iodo-4-(1-phenylheptyl)benzene
CID 57089203
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-phenyltridecyl)pyridine?
The IUPAC name of 4-methyl-2-(1-phenyltridecyl)pyridine (CID 174881850) is 4-methyl-2-(1-phenyltridecyl)pyridine.
What is the SMILES notation for 4-methyl-2-(1-phenyltridecyl)pyridine?
The canonical SMILES for 4-methyl-2-(1-phenyltridecyl)pyridine is CCCCCCCCCCCCC(c1ccccc1)c1cc(C)ccn1.
What is the InChIKey of 4-methyl-2-(1-phenyltridecyl)pyridine?
The InChIKey is NVPFNEYHNMSATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N/c1-3-4-5-6-7-8-9-10-11-15-18-24(23-16-13-12-14-17-23)25-21-22(2)19-20-26-25/h12-14,16-17,19-21,24H,3-11,15,18H2,1-2H3.
What are the key properties of 4-methyl-2-(1-phenyltridecyl)pyridine?
4-methyl-2-(1-phenyltridecyl)pyridine has a molecular weight of 351.58 g/mol, XLogP of 7.83, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-phenyltridecyl)pyridine is sourced from PubChem (CID 174881850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).