N-(1-phenylhexylideneamino)pyridine-4-carboxamide

C18H21N3O — CID 2838403

IUPACN-(1-phenylhexylideneamino)pyridine-4-carboxamide
SMILESCCCCCC(=NNC(=O)c1ccncc1)c1ccccc1
InChIInChI=1S/C18H21N3O/c1-2-3-5-10-17(15-8-6-4-7-9-15)20-21-18(22)16-11-13-19-14-12-16/h4,6-9,11-14H,2-3,5,10H2,1H3,(H,21,22)
InChIKeySXFGWRXAAZVEHZ-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.80
Rot. Bonds7

About N-(1-phenylhexylideneamino)pyridine-4-carboxamide

N-(1-phenylhexylideneamino)pyridine-4-carboxamide (PubChem CID 2838403) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(1-phenylhexylideneamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-phenylhexylideneamino)pyridine-4-carboxamide
PubChem CID2838403
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-(1-phenylhexylideneamino)pyridine-4-carboxamide
SMILESCCCCCC(=NNC(=O)c1ccncc1)c1ccccc1
InChIInChI=1S/C18H21N3O/c1-2-3-5-10-17(15-8-6-4-7-9-15)20-21-18(22)16-11-13-19-14-12-16/h4,6-9,11-14H,2-3,5,10H2,1H3,(H,21,22)
InChIKeySXFGWRXAAZVEHZ-UHFFFAOYSA-N
XLogP3.80
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide
CID 5337549
4-methoxy-N-[(E)-1-phenylhexylideneamino]benzamide
CID 6370113
4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide
CID 4926193
N-[(Z)-1-phenylhexylideneamino]-4-phenylmethoxybenzamide
CID 6234100
N-(1-phenylhexylideneamino)-4-phenylmethoxybenzamide
CID 4933075
N-[[phenyl(pyridin-4-yl)methylidene]amino]dodecanamide
CID 5002816
N-(1-phenylpentylideneamino)octanamide
CID 4676930
4-hexoxy-N-(1-phenylpentylideneamino)benzamide
CID 4930589
4-ethoxy-N-(1-phenylpentylideneamino)benzamide
CID 5197608
methyl N-[(Z)-1-phenylhexadecylideneamino]carbamate
CID 127261696
2-hydroxy-N-[(Z)-1-pyridin-4-ylbutylideneamino]benzamide
CID 142204388
4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide
CID 3380724

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylhexylideneamino)pyridine-4-carboxamide?
The IUPAC name of N-(1-phenylhexylideneamino)pyridine-4-carboxamide (CID 2838403) is N-(1-phenylhexylideneamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(1-phenylhexylideneamino)pyridine-4-carboxamide?
The canonical SMILES for N-(1-phenylhexylideneamino)pyridine-4-carboxamide is CCCCCC(=NNC(=O)c1ccncc1)c1ccccc1.
What is the InChIKey of N-(1-phenylhexylideneamino)pyridine-4-carboxamide?
The InChIKey is SXFGWRXAAZVEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-2-3-5-10-17(15-8-6-4-7-9-15)20-21-18(22)16-11-13-19-14-12-16/h4,6-9,11-14H,2-3,5,10H2,1H3,(H,21,22).
What are the key properties of N-(1-phenylhexylideneamino)pyridine-4-carboxamide?
N-(1-phenylhexylideneamino)pyridine-4-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylhexylideneamino)pyridine-4-carboxamide is sourced from PubChem (CID 2838403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).