N-(3-cyano-2-pyridinyl)-6-phenylhexanamide

C18H19N3O — CID 86616590

IUPACN-(3-cyano-2-pyridinyl)-6-phenylhexanamide
SMILESN#Cc1cccnc1NC(=O)CCCCCc1ccccc1
InChIInChI=1S/C18H19N3O/c19-14-16-11-7-13-20-18(16)21-17(22)12-6-2-5-10-15-8-3-1-4-9-15/h1,3-4,7-9,11,13H,2,5-6,10,12H2,(H,20,21,22)
InChIKeyMQFGIXRZDZRBBQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.69
Rot. Bonds7

About N-(3-cyano-2-pyridinyl)-6-phenylhexanamide

N-(3-cyano-2-pyridinyl)-6-phenylhexanamide (PubChem CID 86616590) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(3-cyano-2-pyridinyl)-6-phenylhexanamide.

Molecular Properties

Compound NameN-(3-cyano-2-pyridinyl)-6-phenylhexanamide
PubChem CID86616590
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-(3-cyano-2-pyridinyl)-6-phenylhexanamide
SMILESN#Cc1cccnc1NC(=O)CCCCCc1ccccc1
InChIInChI=1S/C18H19N3O/c19-14-16-11-7-13-20-18(16)21-17(22)12-6-2-5-10-15-8-3-1-4-9-15/h1,3-4,7-9,11,13H,2,5-6,10,12H2,(H,20,21,22)
InChIKeyMQFGIXRZDZRBBQ-UHFFFAOYSA-N
XLogP3.69
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-bromophenyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]pentanamide
CID 55840184
N-benzyl-3-[(3-cyano-2-pyridinyl)amino]propanamide
CID 133279511
N-(3-cyano-2-pyridinyl)-2-(methylamino)acetamide
CID 110470457
1-(3-cyano-2-pyridinyl)-3-phenylurea
CID 110472230
N-(2-cyano-4-fluorophenyl)-4-phenylbutanamide
CID 79954684
phenyl N-(3-cyano-2-pyridinyl)carbamate
CID 110472420
2-chloro-N-[(3-cyano-2-pyridinyl)carbamoyl]acetamide
CID 175502702
N-(3-methyl-2-pyridinyl)-4-(2-phenylethoxy)butanamide
CID 52668967
2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 60654935
N-methyl-9-phenylnonanamide
CID 118028570
3-(3-phenylpropanoylamino)pyrazine-2-carboxylic acid
CID 63261894
2-[[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile
CID 56898054

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-2-pyridinyl)-6-phenylhexanamide?
The IUPAC name of N-(3-cyano-2-pyridinyl)-6-phenylhexanamide (CID 86616590) is N-(3-cyano-2-pyridinyl)-6-phenylhexanamide.
What is the SMILES notation for N-(3-cyano-2-pyridinyl)-6-phenylhexanamide?
The canonical SMILES for N-(3-cyano-2-pyridinyl)-6-phenylhexanamide is N#Cc1cccnc1NC(=O)CCCCCc1ccccc1.
What is the InChIKey of N-(3-cyano-2-pyridinyl)-6-phenylhexanamide?
The InChIKey is MQFGIXRZDZRBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c19-14-16-11-7-13-20-18(16)21-17(22)12-6-2-5-10-15-8-3-1-4-9-15/h1,3-4,7-9,11,13H,2,5-6,10,12H2,(H,20,21,22).
What are the key properties of N-(3-cyano-2-pyridinyl)-6-phenylhexanamide?
N-(3-cyano-2-pyridinyl)-6-phenylhexanamide has a molecular weight of 293.37 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-2-pyridinyl)-6-phenylhexanamide is sourced from PubChem (CID 86616590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).