N-[2-(7,7,9-triphenylnonanoylamino)ethyl]pyridine-3-carboxamide

C35H39N3O2 — CID 170077724

IUPACN-[2-(7,7,9-triphenylnonanoylamino)ethyl]pyridine-3-carboxamide
SMILESO=C(CCCCCC(CCc1ccccc1)(c1ccccc1)c1ccccc1)NCCNC(=O)c1cccnc1
InChIInChI=1S/C35H39N3O2/c39-33(37-26-27-38-34(40)30-16-13-25-36-28-30)21-11-4-12-23-35(31-17-7-2-8-18-31,32-19-9-3-10-20-32)24-22-29-14-5-1-6-15-29/h1-3,5-10,13-20,25,28H,4,11-12,21-24,26-27H2,(H,37,39)(H,38,40)
InChIKeyOGXBDOWHFIIMLR-UHFFFAOYSA-N
MW533.72 g/mol
LogP6.50
Rot. Bonds15

About N-[2-(7,7,9-triphenylnonanoylamino)ethyl]pyridine-3-carboxamide

N-[2-(7,7,9-triphenylnonanoylamino)ethyl]pyridine-3-carboxamide (PubChem CID 170077724) has the molecular formula C35H39N3O2 and a molecular weight of 533.72 g/mol. Its IUPAC name is N-[2-(7,7,9-triphenylnonanoylamino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(7,7,9-triphenylnonanoylamino)ethyl]pyridine-3-carboxamide
PubChem CID170077724
Molecular FormulaC35H39N3O2
Molecular Weight533.72 g/mol
Exact Mass533.30
IUPAC NameN-[2-(7,7,9-triphenylnonanoylamino)ethyl]pyridine-3-carboxamide
SMILESO=C(CCCCCC(CCc1ccccc1)(c1ccccc1)c1ccccc1)NCCNC(=O)c1cccnc1
InChIInChI=1S/C35H39N3O2/c39-33(37-26-27-38-34(40)30-16-13-25-36-28-30)21-11-4-12-23-35(31-17-7-2-8-18-31,32-19-9-3-10-20-32)24-22-29-14-5-1-6-15-29/h1-3,5-10,13-20,25,28H,4,11-12,21-24,26-27H2,(H,37,39)(H,38,40)
InChIKeyOGXBDOWHFIIMLR-UHFFFAOYSA-N
XLogP6.50
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.72
LogP ≤ 56.50
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

N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide
CID 146558338
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
N-[2-[3-(3-fluorophenyl)propanoylamino]ethyl]pyridine-3-carboxamide
CID 39578480
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
N-[2-[[N'-(2-phenylethyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111055575
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-[2-(8,10-diphenyldecylamino)ethyl]pyridine-3-carboxamide
CID 170079188
N-[4-oxo-4-(pyridin-3-ylamino)butyl]benzamide
CID 39761141
N-[2-[(2-benzhydryloxyacetyl)amino]ethyl]pyridine-3-carboxamide
CID 39577664
N-(2-phenylethyl)-N'-pyridin-3-ylbutanediamide
CID 51362474
N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 91045435
N-[3-[4-(2-methylphenoxy)butanoylamino]propyl]pyridine-3-carboxamide
CID 108926624

Frequently Asked Questions

What is the IUPAC name of N-[2-(7,7,9-triphenylnonanoylamino)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(7,7,9-triphenylnonanoylamino)ethyl]pyridine-3-carboxamide (CID 170077724) is N-[2-(7,7,9-triphenylnonanoylamino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(7,7,9-triphenylnonanoylamino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(7,7,9-triphenylnonanoylamino)ethyl]pyridine-3-carboxamide is O=C(CCCCCC(CCc1ccccc1)(c1ccccc1)c1ccccc1)NCCNC(=O)c1cccnc1.
What is the InChIKey of N-[2-(7,7,9-triphenylnonanoylamino)ethyl]pyridine-3-carboxamide?
The InChIKey is OGXBDOWHFIIMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N3O2/c39-33(37-26-27-38-34(40)30-16-13-25-36-28-30)21-11-4-12-23-35(31-17-7-2-8-18-31,32-19-9-3-10-20-32)24-22-29-14-5-1-6-15-29/h1-3,5-10,13-20,25,28H,4,11-12,21-24,26-27H2,(H,37,39)(H,38,40).
What are the key properties of N-[2-(7,7,9-triphenylnonanoylamino)ethyl]pyridine-3-carboxamide?
N-[2-(7,7,9-triphenylnonanoylamino)ethyl]pyridine-3-carboxamide has a molecular weight of 533.72 g/mol, XLogP of 6.50, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7,7,9-triphenylnonanoylamino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 170077724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).