N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-chloropyridine-3-carboxamide

C18H19ClN4O2 — CID 17102731

IUPACN-[2-(4-acetylpiperazin-1-yl)phenyl]-2-chloropyridine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C18H19ClN4O2/c1-13(24)22-9-11-23(12-10-22)16-7-3-2-6-15(16)21-18(25)14-5-4-8-20-17(14)19/h2-8H,9-12H2,1H3,(H,21,25)
InChIKeySEWMKTLMBFMKGO-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.66
Rot. Bonds3

About N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-chloropyridine-3-carboxamide

N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-chloropyridine-3-carboxamide (PubChem CID 17102731) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-2-chloropyridine-3-carboxamide
PubChem CID17102731
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-2-chloropyridine-3-carboxamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C18H19ClN4O2/c1-13(24)22-9-11-23(12-10-22)16-7-3-2-6-15(16)21-18(25)14-5-4-8-20-17(14)19/h2-8H,9-12H2,1H3,(H,21,25)
InChIKeySEWMKTLMBFMKGO-UHFFFAOYSA-N
XLogP2.66
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-chloropyridine-2-carboxamide
CID 57327120
N-[2-(4-acetylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide
CID 1259192
N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-nitrobenzamide
CID 7346441
2-fluoro-N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 107358573
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-2-chloropyridine-3-carboxamide
CID 5185889
2-chloro-N-[2-(4-chlorotriazol-1-yl)phenyl]pyridine-3-carboxamide
CID 175358434
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
N-[2-(4-acetylpiperazin-1-yl)phenyl]-6-aminopyrazine-2-carboxamide
CID 57327084
2-ethoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 18189885
2-acetamido-N-(2-chloro-3-pyridinyl)benzamide
CID 13143772
2-(4-acetylpiperazin-1-yl)-N-pyridin-3-ylbenzamide
CID 123428745
2-amino-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 110862415

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-chloropyridine-3-carboxamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-chloropyridine-3-carboxamide (CID 17102731) is N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-chloropyridine-3-carboxamide is CC(=O)N1CCN(c2ccccc2NC(=O)c2cccnc2Cl)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-chloropyridine-3-carboxamide?
The InChIKey is SEWMKTLMBFMKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-13(24)22-9-11-23(12-10-22)16-7-3-2-6-15(16)21-18(25)14-5-4-8-20-17(14)19/h2-8H,9-12H2,1H3,(H,21,25).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-chloropyridine-3-carboxamide?
N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-chloropyridine-3-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 17102731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).