N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide

C32H50N4O2 — CID 102199580

IUPACN-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
SMILESCCCCCCCCCCNC(=O)c1ccc(-c2ccc(C(=O)NCCCCCCCCCC)cn2)nc1
InChIInChI=1S/C32H50N4O2/c1-3-5-7-9-11-13-15-17-23-33-31(37)27-19-21-29(35-25-27)30-22-20-28(26-36-30)32(38)34-24-18-16-14-12-10-8-6-4-2/h19-22,25-26H,3-18,23-24H2,1-2H3,(H,33,37)(H,34,38)
InChIKeySJNYXFNVHHTCKF-UHFFFAOYSA-N
MW522.78 g/mol
LogP7.88
Rot. Bonds21

About N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide

N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 102199580) has the molecular formula C32H50N4O2 and a molecular weight of 522.78 g/mol. Its IUPAC name is N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
PubChem CID102199580
Molecular FormulaC32H50N4O2
Molecular Weight522.78 g/mol
Exact Mass522.39
IUPAC NameN-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
SMILESCCCCCCCCCCNC(=O)c1ccc(-c2ccc(C(=O)NCCCCCCCCCC)cn2)nc1
InChIInChI=1S/C32H50N4O2/c1-3-5-7-9-11-13-15-17-23-33-31(37)27-19-21-29(35-25-27)30-22-20-28(26-36-30)32(38)34-24-18-16-14-12-10-8-6-4-2/h19-22,25-26H,3-18,23-24H2,1-2H3,(H,33,37)(H,34,38)
InChIKeySJNYXFNVHHTCKF-UHFFFAOYSA-N
XLogP7.88
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.78
LogP ≤ 57.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(11-hydroxyundecyl)-6-pyridin-2-ylpyridine-3-carboxamide
CID 10361759
N-octadecylpyridine-3-carboxamide
CID 3547337
CID 131885807
CID 131885807
N-decyl-4-hydroxybenzamide
CID 15277871
4-butoxy-N-hexadecylbenzamide
CID 4936106
ethene;N-heptyl-2-methylpyrimidine-5-carboxamide;molecular hydrogen
CID 144515256
4-tert-butyl-N-nonylbenzamide
CID 4642451
N-hexylpyridine-4-carboxamide
CID 3423732
N-decyl-4-sulfanylbenzamide
CID 107032455
4-bromo-N-hexadecylbenzamide
CID 54791037
N-decyl-4-ethoxybenzamide
CID 4123784
N-heptyl-6-[2-[[4-(hexylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide
CID 118332905

Frequently Asked Questions

What is the IUPAC name of N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide (CID 102199580) is N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide is CCCCCCCCCCNC(=O)c1ccc(-c2ccc(C(=O)NCCCCCCCCCC)cn2)nc1.
What is the InChIKey of N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is SJNYXFNVHHTCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50N4O2/c1-3-5-7-9-11-13-15-17-23-33-31(37)27-19-21-29(35-25-27)30-22-20-28(26-36-30)32(38)34-24-18-16-14-12-10-8-6-4-2/h19-22,25-26H,3-18,23-24H2,1-2H3,(H,33,37)(H,34,38).
What are the key properties of N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide?
N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 522.78 g/mol, XLogP of 7.88, 21 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 102199580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).