N-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide

C25H23Cl2N5O2 — CID 11821000

IUPACN-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide
SMILESO=C(CN(/N=C/c1ccccc1Cl)C(=O)c1ccncc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C25H23Cl2N5O2/c26-21-5-3-6-22(16-21)30-12-14-31(15-13-30)24(33)18-32(25(34)19-8-10-28-11-9-19)29-17-20-4-1-2-7-23(20)27/h1-11,16-17H,12-15,18H2/b29-17+
InChIKeyOWVNIGRPYNRGEE-STBIYBPSSA-N
MW496.40 g/mol
LogP4.21
Rot. Bonds6

About N-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide

N-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide (PubChem CID 11821000) has the molecular formula C25H23Cl2N5O2 and a molecular weight of 496.40 g/mol. Its IUPAC name is N-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide
PubChem CID11821000
Molecular FormulaC25H23Cl2N5O2
Molecular Weight496.40 g/mol
Exact Mass495.12
IUPAC NameN-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide
SMILESO=C(CN(/N=C/c1ccccc1Cl)C(=O)c1ccncc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C25H23Cl2N5O2/c26-21-5-3-6-22(16-21)30-12-14-31(15-13-30)24(33)18-32(25(34)19-8-10-28-11-9-19)29-17-20-4-1-2-7-23(20)27/h1-11,16-17H,12-15,18H2/b29-17+
InChIKeyOWVNIGRPYNRGEE-STBIYBPSSA-N
XLogP4.21
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.40
LogP ≤ 54.21
H-Bond Donors ≤ 50
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-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide
CID 11820998
N-[(E)-(3-chlorophenyl)methylideneamino]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide
CID 11821012
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 44998680
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-phenylacetamide
CID 113097807
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 30464624
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione
CID 20969074
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 51108233
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598
N-tert-butyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113166120
4-(3-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide
CID 108989247

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide (CID 11821000) is N-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide is O=C(CN(/N=C/c1ccccc1Cl)C(=O)c1ccncc1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide?
The InChIKey is OWVNIGRPYNRGEE-STBIYBPSSA-N. The full InChI is InChI=1S/C25H23Cl2N5O2/c26-21-5-3-6-22(16-21)30-12-14-31(15-13-30)24(33)18-32(25(34)19-8-10-28-11-9-19)29-17-20-4-1-2-7-23(20)27/h1-11,16-17H,12-15,18H2/b29-17+.
What are the key properties of N-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide?
N-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide has a molecular weight of 496.40 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chlorophenyl)methylideneamino]-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide is sourced from PubChem (CID 11821000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).