N-[2-[(2Z)-2-[(3-chloro-4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide

C16H15ClN4O3 — CID 6106614

IUPACN-[2-[(2Z)-2-[(3-chloro-4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)CNC(=O)c2ccncc2)cc1Cl
InChIInChI=1S/C16H15ClN4O3/c1-24-14-3-2-11(8-13(14)17)9-20-21-15(22)10-19-16(23)12-4-6-18-7-5-12/h2-9H,10H2,1H3,(H,19,23)(H,21,22)/b20-9-
InChIKeyDUKJUHUDDJPIKX-UKWGHVSLSA-N
MW346.77 g/mol
LogP1.62
Rot. Bonds6

About N-[2-[(2Z)-2-[(3-chloro-4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide

N-[2-[(2Z)-2-[(3-chloro-4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide (PubChem CID 6106614) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is N-[2-[(2Z)-2-[(3-chloro-4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2Z)-2-[(3-chloro-4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide
PubChem CID6106614
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC NameN-[2-[(2Z)-2-[(3-chloro-4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)CNC(=O)c2ccncc2)cc1Cl
InChIInChI=1S/C16H15ClN4O3/c1-24-14-3-2-11(8-13(14)17)9-20-21-15(22)10-19-16(23)12-4-6-18-7-5-12/h2-9H,10H2,1H3,(H,19,23)(H,21,22)/b20-9-
InChIKeyDUKJUHUDDJPIKX-UKWGHVSLSA-N
XLogP1.62
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 870831
[2-methoxy-4-[[[2-(pyridine-4-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 24818260
N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
CID 5207082
4-chloro-N-[2-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 5061249
[2-methoxy-4-[[[2-[(4-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3,4-dichlorobenzoate
CID 3738344
[4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate
CID 6249023
N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
CID 3850577
4-chloro-N-[2-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6062749
3,4,5-trimethoxy-N-[2-oxo-2-[2-[[4-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]ethyl]benzamide
CID 3342821
N-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5416142
3,4-dichloro-N-[2-[2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3803468
[2-methoxy-4-[[[2-[(4-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 3710426

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2Z)-2-[(3-chloro-4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[(2Z)-2-[(3-chloro-4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide (CID 6106614) is N-[2-[(2Z)-2-[(3-chloro-4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(2Z)-2-[(3-chloro-4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(2Z)-2-[(3-chloro-4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide is COc1ccc(/C=N\NC(=O)CNC(=O)c2ccncc2)cc1Cl.
What is the InChIKey of N-[2-[(2Z)-2-[(3-chloro-4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide?
The InChIKey is DUKJUHUDDJPIKX-UKWGHVSLSA-N. The full InChI is InChI=1S/C16H15ClN4O3/c1-24-14-3-2-11(8-13(14)17)9-20-21-15(22)10-19-16(23)12-4-6-18-7-5-12/h2-9H,10H2,1H3,(H,19,23)(H,21,22)/b20-9-.
What are the key properties of N-[2-[(2Z)-2-[(3-chloro-4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide?
N-[2-[(2Z)-2-[(3-chloro-4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide has a molecular weight of 346.77 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2Z)-2-[(3-chloro-4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide is sourced from PubChem (CID 6106614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).