N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide

C18H21ClN4O — CID 127026808

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide
SMILESO=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1ccncc1
InChIInChI=1S/C18H21ClN4O/c19-16-2-1-3-17(14-16)23-12-10-22(11-13-23)9-8-21-18(24)15-4-6-20-7-5-15/h1-7,14H,8-13H2,(H,21,24)
InChIKeyJCCYAZCVHKZJFG-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.29
Rot. Bonds5

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

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide (PubChem CID 127026808) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide
PubChem CID127026808
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide
SMILESO=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1ccncc1
InChIInChI=1S/C18H21ClN4O/c19-16-2-1-3-17(14-16)23-12-10-22(11-13-23)9-8-21-18(24)15-4-6-20-7-5-15/h1-7,14H,8-13H2,(H,21,24)
InChIKeyJCCYAZCVHKZJFG-UHFFFAOYSA-N
XLogP2.29
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide (CID 127026808) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide is O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1ccncc1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide?
The InChIKey is JCCYAZCVHKZJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c19-16-2-1-3-17(14-16)23-12-10-22(11-13-23)9-8-21-18(24)15-4-6-20-7-5-15/h1-7,14H,8-13H2,(H,21,24).
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 127026808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).