N-[[2-[3-(2-butan-2-ylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide

C26H29N3O3 — CID 4004160

IUPACN-[[2-[3-(2-butan-2-ylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide
SMILESCCC(C)c1ccccc1OCCCOc1ccccc1C=NNC(=O)c1ccncc1
InChIInChI=1S/C26H29N3O3/c1-3-20(2)23-10-5-7-12-25(23)32-18-8-17-31-24-11-6-4-9-22(24)19-28-29-26(30)21-13-15-27-16-14-21/h4-7,9-16,19-20H,3,8,17-18H2,1-2H3,(H,29,30)
InChIKeyFSXXOGXBESKKJA-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.21
Rot. Bonds11

About N-[[2-[3-(2-butan-2-ylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide

N-[[2-[3-(2-butan-2-ylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide (PubChem CID 4004160) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[[2-[3-(2-butan-2-ylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-[3-(2-butan-2-ylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide
PubChem CID4004160
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[[2-[3-(2-butan-2-ylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide
SMILESCCC(C)c1ccccc1OCCCOc1ccccc1C=NNC(=O)c1ccncc1
InChIInChI=1S/C26H29N3O3/c1-3-20(2)23-10-5-7-12-25(23)32-18-8-17-31-24-11-6-4-9-22(24)19-28-29-26(30)21-13-15-27-16-14-21/h4-7,9-16,19-20H,3,8,17-18H2,1-2H3,(H,29,30)
InChIKeyFSXXOGXBESKKJA-UHFFFAOYSA-N
XLogP5.21
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 690991
N-[(Z)-[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 6090639
N-[(Z)-[4-[2-(2-butan-2-ylphenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 6102913
N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 5219776
4-[[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid
CID 6875276
N-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 110338477
[[2-[3-(4-butan-2-ylphenoxy)propoxy]phenyl]methylideneamino]urea
CID 3572601
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833649
N-[(E)-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 5349322
N-[(2-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690992
N-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]pyridine-3-carboxamide
CID 110510127
N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 2163591

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(2-butan-2-ylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[[2-[3-(2-butan-2-ylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide (CID 4004160) is N-[[2-[3-(2-butan-2-ylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[[2-[3-(2-butan-2-ylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[[2-[3-(2-butan-2-ylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide is CCC(C)c1ccccc1OCCCOc1ccccc1C=NNC(=O)c1ccncc1.
What is the InChIKey of N-[[2-[3-(2-butan-2-ylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is FSXXOGXBESKKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-3-20(2)23-10-5-7-12-25(23)32-18-8-17-31-24-11-6-4-9-22(24)19-28-29-26(30)21-13-15-27-16-14-21/h4-7,9-16,19-20H,3,8,17-18H2,1-2H3,(H,29,30).
What are the key properties of N-[[2-[3-(2-butan-2-ylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
N-[[2-[3-(2-butan-2-ylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 5.21, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(2-butan-2-ylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 4004160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).