N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-N-(4-methylbenzoyl)pyridine-4-carboxamide

C24H18ClN5O2 — CID 137205939

IUPACN-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-N-(4-methylbenzoyl)pyridine-4-carboxamide
SMILESCc1ccc(C(=O)N(N=Cc2cn[nH]c2-c2ccc(Cl)cc2)C(=O)c2ccncc2)cc1
InChIInChI=1S/C24H18ClN5O2/c1-16-2-4-18(5-3-16)23(31)30(24(32)19-10-12-26-13-11-19)28-15-20-14-27-29-22(20)17-6-8-21(25)9-7-17/h2-15H,1H3,(H,27,29)
InChIKeyTWBPAVBFCIZSIN-UHFFFAOYSA-N
MW443.89 g/mol
LogP4.75
Rot. Bonds5

About N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-N-(4-methylbenzoyl)pyridine-4-carboxamide

N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-N-(4-methylbenzoyl)pyridine-4-carboxamide (PubChem CID 137205939) has the molecular formula C24H18ClN5O2 and a molecular weight of 443.89 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-N-(4-methylbenzoyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-N-(4-methylbenzoyl)pyridine-4-carboxamide
PubChem CID137205939
Molecular FormulaC24H18ClN5O2
Molecular Weight443.89 g/mol
Exact Mass443.11
IUPAC NameN-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-N-(4-methylbenzoyl)pyridine-4-carboxamide
SMILESCc1ccc(C(=O)N(N=Cc2cn[nH]c2-c2ccc(Cl)cc2)C(=O)c2ccncc2)cc1
InChIInChI=1S/C24H18ClN5O2/c1-16-2-4-18(5-3-16)23(31)30(24(32)19-10-12-26-13-11-19)28-15-20-14-27-29-22(20)17-6-8-21(25)9-7-17/h2-15H,1H3,(H,27,29)
InChIKeyTWBPAVBFCIZSIN-UHFFFAOYSA-N
XLogP4.75
TPSA91.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.89
LogP ≤ 54.75
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-N-(4-methylbenzoyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-N-(4-methylbenzoyl)pyridine-4-carboxamide?
The IUPAC name of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-N-(4-methylbenzoyl)pyridine-4-carboxamide (CID 137205939) is N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-N-(4-methylbenzoyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-N-(4-methylbenzoyl)pyridine-4-carboxamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-N-(4-methylbenzoyl)pyridine-4-carboxamide is Cc1ccc(C(=O)N(N=Cc2cn[nH]c2-c2ccc(Cl)cc2)C(=O)c2ccncc2)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-N-(4-methylbenzoyl)pyridine-4-carboxamide?
The InChIKey is TWBPAVBFCIZSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O2/c1-16-2-4-18(5-3-16)23(31)30(24(32)19-10-12-26-13-11-19)28-15-20-14-27-29-22(20)17-6-8-21(25)9-7-17/h2-15H,1H3,(H,27,29).
What are the key properties of N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-N-(4-methylbenzoyl)pyridine-4-carboxamide?
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-N-(4-methylbenzoyl)pyridine-4-carboxamide has a molecular weight of 443.89 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-N-(4-methylbenzoyl)pyridine-4-carboxamide is sourced from PubChem (CID 137205939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).