4-chloro-N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]pyridine-2-carboxamide

C19H20Cl2N4O2 — CID 9183391

IUPAC4-chloro-N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]pyridine-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)c1cc(Cl)ccn1
InChIInChI=1S/C19H20Cl2N4O2/c20-15-3-1-2-14(10-15)13-24-6-8-25(9-7-24)18(26)12-23-19(27)17-11-16(21)4-5-22-17/h1-5,10-11H,6-9,12-13H2,(H,23,27)
InChIKeyPUPKHGYMRFXTHP-UHFFFAOYSA-N
MW407.30 g/mol
LogP2.46
Rot. Bonds5

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

4-chloro-N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 9183391) has the molecular formula C19H20Cl2N4O2 and a molecular weight of 407.30 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]pyridine-2-carboxamide
PubChem CID9183391
Molecular FormulaC19H20Cl2N4O2
Molecular Weight407.30 g/mol
Exact Mass406.10
IUPAC Name4-chloro-N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]pyridine-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)c1cc(Cl)ccn1
InChIInChI=1S/C19H20Cl2N4O2/c20-15-3-1-2-14(10-15)13-24-6-8-25(9-7-24)18(26)12-23-19(27)17-11-16(21)4-5-22-17/h1-5,10-11H,6-9,12-13H2,(H,23,27)
InChIKeyPUPKHGYMRFXTHP-UHFFFAOYSA-N
XLogP2.46
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 4-[(3-chlorophenyl)methyl]piperazine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]pyridine-2-carboxamide (CID 9183391) is 4-chloro-N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]pyridine-2-carboxamide is O=C(NCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is PUPKHGYMRFXTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O2/c20-15-3-1-2-14(10-15)13-24-6-8-25(9-7-24)18(26)12-23-19(27)17-11-16(21)4-5-22-17/h1-5,10-11H,6-9,12-13H2,(H,23,27).
What are the key properties of 4-chloro-N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]pyridine-2-carboxamide?
4-chloro-N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 407.30 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 9183391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).