N-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-4-methylpiperazine-1-carboxamide

C18H20Cl2N4O2 — CID 1478529

IUPACN-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2cccn(Cc3ccc(Cl)c(Cl)c3)c2=O)CC1
InChIInChI=1S/C18H20Cl2N4O2/c1-22-7-9-23(10-8-22)18(26)21-16-3-2-6-24(17(16)25)12-13-4-5-14(19)15(20)11-13/h2-6,11H,7-10,12H2,1H3,(H,21,26)
InChIKeyAVYNWKRLTHDQBK-UHFFFAOYSA-N
MW395.29 g/mol
LogP2.98
Rot. Bonds3

About N-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-4-methylpiperazine-1-carboxamide

N-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-4-methylpiperazine-1-carboxamide (PubChem CID 1478529) has the molecular formula C18H20Cl2N4O2 and a molecular weight of 395.29 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-4-methylpiperazine-1-carboxamide
PubChem CID1478529
Molecular FormulaC18H20Cl2N4O2
Molecular Weight395.29 g/mol
Exact Mass394.10
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2cccn(Cc3ccc(Cl)c(Cl)c3)c2=O)CC1
InChIInChI=1S/C18H20Cl2N4O2/c1-22-7-9-23(10-8-22)18(26)21-16-3-2-6-24(17(16)25)12-13-4-5-14(19)15(20)11-13/h2-6,11H,7-10,12H2,1H3,(H,21,26)
InChIKeyAVYNWKRLTHDQBK-UHFFFAOYSA-N
XLogP2.98
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-4-methylpiperazine-1-carboxamide (CID 1478529) is N-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)Nc2cccn(Cc3ccc(Cl)c(Cl)c3)c2=O)CC1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-4-methylpiperazine-1-carboxamide?
The InChIKey is AVYNWKRLTHDQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O2/c1-22-7-9-23(10-8-22)18(26)21-16-3-2-6-24(17(16)25)12-13-4-5-14(19)15(20)11-13/h2-6,11H,7-10,12H2,1H3,(H,21,26).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-4-methylpiperazine-1-carboxamide?
N-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-4-methylpiperazine-1-carboxamide has a molecular weight of 395.29 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 1478529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).