N-[(E)-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]pentylideneamino]pyridine-2-carboxamide

C23H29ClN4O — CID 155674267

IUPACN-[(E)-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]pentylideneamino]pyridine-2-carboxamide
SMILESCCCC/C(=N\NC(=O)c1ccccn1)C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C23H29ClN4O/c1-2-3-10-21(26-27-23(29)22-11-6-7-14-25-22)18-12-15-28(16-13-18)17-19-8-4-5-9-20(19)24/h4-9,11,14,18H,2-3,10,12-13,15-17H2,1H3,(H,27,29)/b26-21+
InChIKeyFLHGIWXOLJFZQH-YYADALCUSA-N
MW412.97 g/mol
LogP4.92
Rot. Bonds8

About N-[(E)-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]pentylideneamino]pyridine-2-carboxamide

N-[(E)-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]pentylideneamino]pyridine-2-carboxamide (PubChem CID 155674267) has the molecular formula C23H29ClN4O and a molecular weight of 412.97 g/mol. Its IUPAC name is N-[(E)-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]pentylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]pentylideneamino]pyridine-2-carboxamide
PubChem CID155674267
Molecular FormulaC23H29ClN4O
Molecular Weight412.97 g/mol
Exact Mass412.20
IUPAC NameN-[(E)-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]pentylideneamino]pyridine-2-carboxamide
SMILESCCCC/C(=N\NC(=O)c1ccccn1)C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C23H29ClN4O/c1-2-3-10-21(26-27-23(29)22-11-6-7-14-25-22)18-12-15-28(16-13-18)17-19-8-4-5-9-20(19)24/h4-9,11,14,18H,2-3,10,12-13,15-17H2,1H3,(H,27,29)/b26-21+
InChIKeyFLHGIWXOLJFZQH-YYADALCUSA-N
XLogP4.92
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.97
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]pentylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]pentylideneamino]pyridine-2-carboxamide (CID 155674267) is N-[(E)-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]pentylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]pentylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]pentylideneamino]pyridine-2-carboxamide is CCCC/C(=N\NC(=O)c1ccccn1)C1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of N-[(E)-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]pentylideneamino]pyridine-2-carboxamide?
The InChIKey is FLHGIWXOLJFZQH-YYADALCUSA-N. The full InChI is InChI=1S/C23H29ClN4O/c1-2-3-10-21(26-27-23(29)22-11-6-7-14-25-22)18-12-15-28(16-13-18)17-19-8-4-5-9-20(19)24/h4-9,11,14,18H,2-3,10,12-13,15-17H2,1H3,(H,27,29)/b26-21+.
What are the key properties of N-[(E)-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]pentylideneamino]pyridine-2-carboxamide?
N-[(E)-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]pentylideneamino]pyridine-2-carboxamide has a molecular weight of 412.97 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]pentylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 155674267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).