N-[(Z)-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methylideneamino]pyridine-2-carboxamide

C24H21N5O2 — CID 9142622

IUPACN-[(Z)-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methylideneamino]pyridine-2-carboxamide
SMILESCOc1cccc(-c2nn(Cc3ccccc3)cc2/C=N\NC(=O)c2ccccn2)c1
InChIInChI=1S/C24H21N5O2/c1-31-21-11-7-10-19(14-21)23-20(15-26-27-24(30)22-12-5-6-13-25-22)17-29(28-23)16-18-8-3-2-4-9-18/h2-15,17H,16H2,1H3,(H,27,30)/b26-15-
InChIKeyNTXQVNSXMMCYMN-YSMPRRRNSA-N
MW411.47 g/mol
LogP3.77
Rot. Bonds7

About N-[(Z)-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methylideneamino]pyridine-2-carboxamide

N-[(Z)-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methylideneamino]pyridine-2-carboxamide (PubChem CID 9142622) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is N-[(Z)-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methylideneamino]pyridine-2-carboxamide
PubChem CID9142622
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC NameN-[(Z)-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methylideneamino]pyridine-2-carboxamide
SMILESCOc1cccc(-c2nn(Cc3ccccc3)cc2/C=N\NC(=O)c2ccccn2)c1
InChIInChI=1S/C24H21N5O2/c1-31-21-11-7-10-19(14-21)23-20(15-26-27-24(30)22-12-5-6-13-25-22)17-29(28-23)16-18-8-3-2-4-9-18/h2-15,17H,16H2,1H3,(H,27,30)/b26-15-
InChIKeyNTXQVNSXMMCYMN-YSMPRRRNSA-N
XLogP3.77
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(Z)-[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]methylideneamino]furan-2-carboxamide
CID 9231529
N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide
CID 4504148
N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-2-carboxamide
CID 7976863
N-[(3-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 761649
(E)-3-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-2-cyanoprop-2-enoate
CID 9340835
N-[(Z)-[1-benzyl-3-(3-methylphenyl)pyrazol-4-yl]methylideneamino]furan-2-carboxamide
CID 9175450
N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 136863964
N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-chlorobenzamide
CID 9175064
N-[(1-benzyl-3-phenylpyrazol-4-yl)methylideneamino]-5-methylthiophene-2-carboxamide
CID 4504151
(Z)-1-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-N-(4-methylpiperazin-1-yl)methanimine
CID 9142774
N-[(Z)-[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methylideneamino]acetamide
CID 9143206
N-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-2-fluorobenzamide
CID 9236811

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(Z)-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methylideneamino]pyridine-2-carboxamide (CID 9142622) is N-[(Z)-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(Z)-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(Z)-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methylideneamino]pyridine-2-carboxamide is COc1cccc(-c2nn(Cc3ccccc3)cc2/C=N\NC(=O)c2ccccn2)c1.
What is the InChIKey of N-[(Z)-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methylideneamino]pyridine-2-carboxamide?
The InChIKey is NTXQVNSXMMCYMN-YSMPRRRNSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-31-21-11-7-10-19(14-21)23-20(15-26-27-24(30)22-12-5-6-13-25-22)17-29(28-23)16-18-8-3-2-4-9-18/h2-15,17H,16H2,1H3,(H,27,30)/b26-15-.
What are the key properties of N-[(Z)-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methylideneamino]pyridine-2-carboxamide?
N-[(Z)-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methylideneamino]pyridine-2-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 9142622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).