N-[2-(8,10-diphenyldecylamino)ethyl]pyridine-3-carboxamide

C30H39N3O — CID 170079188

IUPACN-[2-(8,10-diphenyldecylamino)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNCCCCCCCC(CCc1ccccc1)c1ccccc1)c1cccnc1
InChIInChI=1S/C30H39N3O/c34-30(29-18-12-22-32-25-29)33-24-23-31-21-11-3-1-2-8-17-28(27-15-9-5-10-16-27)20-19-26-13-6-4-7-14-26/h4-7,9-10,12-16,18,22,25,28,31H,1-3,8,11,17,19-21,23-24H2,(H,33,34)
InChIKeyYERKVGIXUOTBLT-UHFFFAOYSA-N
MW457.66 g/mol
LogP6.16
Rot. Bonds16

About N-[2-(8,10-diphenyldecylamino)ethyl]pyridine-3-carboxamide

N-[2-(8,10-diphenyldecylamino)ethyl]pyridine-3-carboxamide (PubChem CID 170079188) has the molecular formula C30H39N3O and a molecular weight of 457.66 g/mol. Its IUPAC name is N-[2-(8,10-diphenyldecylamino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(8,10-diphenyldecylamino)ethyl]pyridine-3-carboxamide
PubChem CID170079188
Molecular FormulaC30H39N3O
Molecular Weight457.66 g/mol
Exact Mass457.31
IUPAC NameN-[2-(8,10-diphenyldecylamino)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNCCCCCCCC(CCc1ccccc1)c1ccccc1)c1cccnc1
InChIInChI=1S/C30H39N3O/c34-30(29-18-12-22-32-25-29)33-24-23-31-21-11-3-1-2-8-17-28(27-15-9-5-10-16-27)20-19-26-13-6-4-7-14-26/h4-7,9-10,12-16,18,22,25,28,31H,1-3,8,11,17,19-21,23-24H2,(H,33,34)
InChIKeyYERKVGIXUOTBLT-UHFFFAOYSA-N
XLogP6.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.66
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-(3-cyclopropyl-3-phenylpropyl)pyridine-3-carboxamide
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4-butyl-N-[2-[2-(pyridine-3-carbonylamino)ethylamino]ethyl]pyridine-2-carboxamide
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CID 67172955

Frequently Asked Questions

What is the IUPAC name of N-[2-(8,10-diphenyldecylamino)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(8,10-diphenyldecylamino)ethyl]pyridine-3-carboxamide (CID 170079188) is N-[2-(8,10-diphenyldecylamino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(8,10-diphenyldecylamino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(8,10-diphenyldecylamino)ethyl]pyridine-3-carboxamide is O=C(NCCNCCCCCCCC(CCc1ccccc1)c1ccccc1)c1cccnc1.
What is the InChIKey of N-[2-(8,10-diphenyldecylamino)ethyl]pyridine-3-carboxamide?
The InChIKey is YERKVGIXUOTBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N3O/c34-30(29-18-12-22-32-25-29)33-24-23-31-21-11-3-1-2-8-17-28(27-15-9-5-10-16-27)20-19-26-13-6-4-7-14-26/h4-7,9-10,12-16,18,22,25,28,31H,1-3,8,11,17,19-21,23-24H2,(H,33,34).
What are the key properties of N-[2-(8,10-diphenyldecylamino)ethyl]pyridine-3-carboxamide?
N-[2-(8,10-diphenyldecylamino)ethyl]pyridine-3-carboxamide has a molecular weight of 457.66 g/mol, XLogP of 6.16, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8,10-diphenyldecylamino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 170079188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).