N-[[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]pyridine-3-carboxamide

C18H16ClN5O — CID 2451345

IUPACN-[[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]pyridine-3-carboxamide
SMILESCc1ccc(-n2nc(C)c(C=NNC(=O)c3cccnc3)c2Cl)cc1
InChIInChI=1S/C18H16ClN5O/c1-12-5-7-15(8-6-12)24-17(19)16(13(2)23-24)11-21-22-18(25)14-4-3-9-20-10-14/h3-11H,1-2H3,(H,22,25)
InChIKeyNCEKLZDXTCNZPC-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.30
Rot. Bonds4

About N-[[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]pyridine-3-carboxamide

N-[[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]pyridine-3-carboxamide (PubChem CID 2451345) has the molecular formula C18H16ClN5O and a molecular weight of 353.81 g/mol. Its IUPAC name is N-[[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]pyridine-3-carboxamide
PubChem CID2451345
Molecular FormulaC18H16ClN5O
Molecular Weight353.81 g/mol
Exact Mass353.10
IUPAC NameN-[[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]pyridine-3-carboxamide
SMILESCc1ccc(-n2nc(C)c(C=NNC(=O)c3cccnc3)c2Cl)cc1
InChIInChI=1S/C18H16ClN5O/c1-12-5-7-15(8-6-12)24-17(19)16(13(2)23-24)11-21-22-18(25)14-4-3-9-20-10-14/h3-11H,1-2H3,(H,22,25)
InChIKeyNCEKLZDXTCNZPC-UHFFFAOYSA-N
XLogP3.30
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.30
H-Bond Donors ≤ 51
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-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 2344277
N-[[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 3351053
4-bromo-N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 6871391
N-[(Z)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]pyridine-2-carboxamide
CID 8005059
2-chloro-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 1079704
N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 920401
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-4-nitrobenzamide
CID 9014963
N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-methylpyrazole-3-carboxamide
CID 920272
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-4-ethoxybenzamide
CID 9215095
N-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-2-(4-fluorophenoxy)acetamide
CID 6893283
N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(diethylsulfamoyl)benzamide
CID 2094492
N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]cyclopropanecarboxamide
CID 6907935

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]pyridine-3-carboxamide (CID 2451345) is N-[[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]pyridine-3-carboxamide is Cc1ccc(-n2nc(C)c(C=NNC(=O)c3cccnc3)c2Cl)cc1.
What is the InChIKey of N-[[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is NCEKLZDXTCNZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O/c1-12-5-7-15(8-6-12)24-17(19)16(13(2)23-24)11-21-22-18(25)14-4-3-9-20-10-14/h3-11H,1-2H3,(H,22,25).
What are the key properties of N-[[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]pyridine-3-carboxamide?
N-[[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 2451345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).