N-[(Z)-[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide

C23H23N3O3 — CID 6090639

IUPACN-[(Z)-[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide
SMILESCc1ccccc1OCCCOc1ccccc1/C=N\NC(=O)c1ccncc1
InChIInChI=1S/C23H23N3O3/c1-18-7-2-4-9-21(18)28-15-6-16-29-22-10-5-3-8-20(22)17-25-26-23(27)19-11-13-24-14-12-19/h2-5,7-14,17H,6,15-16H2,1H3,(H,26,27)/b25-17-
InChIKeyJYUKFRPIOKQRRC-UQQQWYQISA-N
MW389.46 g/mol
LogP4.00
Rot. Bonds9

About N-[(Z)-[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide

N-[(Z)-[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide (PubChem CID 6090639) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[(Z)-[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide
PubChem CID6090639
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[(Z)-[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide
SMILESCc1ccccc1OCCCOc1ccccc1/C=N\NC(=O)c1ccncc1
InChIInChI=1S/C23H23N3O3/c1-18-7-2-4-9-21(18)28-15-6-16-29-22-10-5-3-8-20(22)17-25-26-23(27)19-11-13-24-14-12-19/h2-5,7-14,17H,6,15-16H2,1H3,(H,26,27)/b25-17-
InChIKeyJYUKFRPIOKQRRC-UQQQWYQISA-N
XLogP4.00
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.00
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-[(2-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690992
N-[[2-[3-(2-butan-2-ylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 4004160
N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 5219776
4-[[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid
CID 6875276
N-[(E)-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 5349322
N-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]benzamide
CID 3660325
4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 5131862
3-chloro-N-[[2-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methylideneamino]benzamide
CID 5226825
N-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 110338477
N-[5-[2-[2-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3748682
4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 4300474

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide (CID 6090639) is N-[(Z)-[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide is Cc1ccccc1OCCCOc1ccccc1/C=N\NC(=O)c1ccncc1.
What is the InChIKey of N-[(Z)-[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is JYUKFRPIOKQRRC-UQQQWYQISA-N. The full InChI is InChI=1S/C23H23N3O3/c1-18-7-2-4-9-21(18)28-15-6-16-29-22-10-5-3-8-20(22)17-25-26-23(27)19-11-13-24-14-12-19/h2-5,7-14,17H,6,15-16H2,1H3,(H,26,27)/b25-17-.
What are the key properties of N-[(Z)-[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
N-[(Z)-[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 6090639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).