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

C26H26ClN5O2 — CID 11821012

IUPACN-[(E)-(3-chlorophenyl)methylideneamino]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide
SMILESCc1cccc(N2CCN(C(=O)CN(/N=C/c3cccc(Cl)c3)C(=O)c3ccncc3)CC2)c1
InChIInChI=1S/C26H26ClN5O2/c1-20-4-2-7-24(16-20)30-12-14-31(15-13-30)25(33)19-32(26(34)22-8-10-28-11-9-22)29-18-21-5-3-6-23(27)17-21/h2-11,16-18H,12-15,19H2,1H3/b29-18+
InChIKeyQJFLUFBRUPZGTM-RDRPBHBLSA-N
MW475.98 g/mol
LogP3.87
Rot. Bonds6

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

N-[(E)-(3-chlorophenyl)methylideneamino]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide (PubChem CID 11821012) has the molecular formula C26H26ClN5O2 and a molecular weight of 475.98 g/mol. Its IUPAC name is N-[(E)-(3-chlorophenyl)methylideneamino]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-chlorophenyl)methylideneamino]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide
PubChem CID11821012
Molecular FormulaC26H26ClN5O2
Molecular Weight475.98 g/mol
Exact Mass475.18
IUPAC NameN-[(E)-(3-chlorophenyl)methylideneamino]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide
SMILESCc1cccc(N2CCN(C(=O)CN(/N=C/c3cccc(Cl)c3)C(=O)c3ccncc3)CC2)c1
InChIInChI=1S/C26H26ClN5O2/c1-20-4-2-7-24(16-20)30-12-14-31(15-13-30)25(33)19-32(26(34)22-8-10-28-11-9-22)29-18-21-5-3-6-23(27)17-21/h2-11,16-18H,12-15,19H2,1H3/b29-18+
InChIKeyQJFLUFBRUPZGTM-RDRPBHBLSA-N
XLogP3.87
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 53.87
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-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide
CID 11821000
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(N-ethyl-3-methylanilino)ethanone
CID 109004395
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
2-(4-chloro-2-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004042
2-(4-chloro-2-methylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 18120423
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 30464624
2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 41335038
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 44998680
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 51108233
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)-(3-chlorophenyl)methylideneamino]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide (CID 11821012) is N-[(E)-(3-chlorophenyl)methylideneamino]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(3-chlorophenyl)methylideneamino]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(3-chlorophenyl)methylideneamino]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide is Cc1cccc(N2CCN(C(=O)CN(/N=C/c3cccc(Cl)c3)C(=O)c3ccncc3)CC2)c1.
What is the InChIKey of N-[(E)-(3-chlorophenyl)methylideneamino]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide?
The InChIKey is QJFLUFBRUPZGTM-RDRPBHBLSA-N. The full InChI is InChI=1S/C26H26ClN5O2/c1-20-4-2-7-24(16-20)30-12-14-31(15-13-30)25(33)19-32(26(34)22-8-10-28-11-9-22)29-18-21-5-3-6-23(27)17-21/h2-11,16-18H,12-15,19H2,1H3/b29-18+.
What are the key properties of N-[(E)-(3-chlorophenyl)methylideneamino]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide?
N-[(E)-(3-chlorophenyl)methylideneamino]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide has a molecular weight of 475.98 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chlorophenyl)methylideneamino]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridine-4-carboxamide is sourced from PubChem (CID 11821012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).