N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]benzamide

C17H18N4O2 — CID 113026047

IUPACN-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]benzamide
SMILESO=CN1CCN(c2ccc(NC(=O)c3ccccc3)nc2)CC1
InChIInChI=1S/C17H18N4O2/c22-13-20-8-10-21(11-9-20)15-6-7-16(18-12-15)19-17(23)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,18,19,23)
InChIKeyUGEYCWHQZPNDCL-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.61
Rot. Bonds4

About N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]benzamide

N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]benzamide (PubChem CID 113026047) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]benzamide
PubChem CID113026047
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]benzamide
SMILESO=CN1CCN(c2ccc(NC(=O)c3ccccc3)nc2)CC1
InChIInChI=1S/C17H18N4O2/c22-13-20-8-10-21(11-9-20)15-6-7-16(18-12-15)19-17(23)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,18,19,23)
InChIKeyUGEYCWHQZPNDCL-UHFFFAOYSA-N
XLogP1.61
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]-2-methylbenzamide
CID 113026048
N-[5-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridinyl]benzamide
CID 113029474
N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide
CID 113026042
N-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 38141318
4-fluoro-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113029575
N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide
CID 113028773
4-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
CID 32947923
N-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide
CID 113028800
3-chloro-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 38139828
N-(5-formyl-2-pyridinyl)benzamide
CID 159048742
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 60517332
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 60517539

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]benzamide?
The IUPAC name of N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]benzamide (CID 113026047) is N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]benzamide?
The canonical SMILES for N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]benzamide is O=CN1CCN(c2ccc(NC(=O)c3ccccc3)nc2)CC1.
What is the InChIKey of N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]benzamide?
The InChIKey is UGEYCWHQZPNDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-13-20-8-10-21(11-9-20)15-6-7-16(18-12-15)19-17(23)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,18,19,23).
What are the key properties of N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]benzamide?
N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]benzamide has a molecular weight of 310.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 113026047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).