N-(4-chlorophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide

C23H21ClN4O2 — CID 164524505

IUPACN-(4-chlorophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cncc(-c2ccc(C(=O)N3CCNCC3)cc2)c1
InChIInChI=1S/C23H21ClN4O2/c24-20-5-7-21(8-6-20)27-22(29)19-13-18(14-26-15-19)16-1-3-17(4-2-16)23(30)28-11-9-25-10-12-28/h1-8,13-15,25H,9-12H2,(H,27,29)
InChIKeyUSIKREXUOJKBSI-UHFFFAOYSA-N
MW420.90 g/mol
LogP3.70
Rot. Bonds4

About N-(4-chlorophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide

N-(4-chlorophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide (PubChem CID 164524505) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
PubChem CID164524505
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC NameN-(4-chlorophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cncc(-c2ccc(C(=O)N3CCNCC3)cc2)c1
InChIInChI=1S/C23H21ClN4O2/c24-20-5-7-21(8-6-20)27-22(29)19-13-18(14-26-15-19)16-1-3-17(4-2-16)23(30)28-11-9-25-10-12-28/h1-8,13-15,25H,9-12H2,(H,27,29)
InChIKeyUSIKREXUOJKBSI-UHFFFAOYSA-N
XLogP3.70
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide (CID 164524505) is N-(4-chlorophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cncc(-c2ccc(C(=O)N3CCNCC3)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The InChIKey is USIKREXUOJKBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c24-20-5-7-21(8-6-20)27-22(29)19-13-18(14-26-15-19)16-1-3-17(4-2-16)23(30)28-11-9-25-10-12-28/h1-8,13-15,25H,9-12H2,(H,27,29).
What are the key properties of N-(4-chlorophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide?
N-(4-chlorophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 164524505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).