4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide

C21H21Cl2N5O3 — CID 170347486

IUPAC4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide
SMILESCn1c(=O)c(=O)n(C2CCN(C(=O)NCc3ccc(Cl)cc3)CC2)c2ncc(Cl)cc21
InChIInChI=1S/C21H21Cl2N5O3/c1-26-17-10-15(23)12-24-18(17)28(20(30)19(26)29)16-6-8-27(9-7-16)21(31)25-11-13-2-4-14(22)5-3-13/h2-5,10,12,16H,6-9,11H2,1H3,(H,25,31)
InChIKeyWNQFIIUUHHCPBG-UHFFFAOYSA-N
MW462.34 g/mol
LogP2.95
Rot. Bonds3

About 4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide

4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide (PubChem CID 170347486) has the molecular formula C21H21Cl2N5O3 and a molecular weight of 462.34 g/mol. Its IUPAC name is 4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide
PubChem CID170347486
Molecular FormulaC21H21Cl2N5O3
Molecular Weight462.34 g/mol
Exact Mass461.10
IUPAC Name4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide
SMILESCn1c(=O)c(=O)n(C2CCN(C(=O)NCc3ccc(Cl)cc3)CC2)c2ncc(Cl)cc21
InChIInChI=1S/C21H21Cl2N5O3/c1-26-17-10-15(23)12-24-18(17)28(20(30)19(26)29)16-6-8-27(9-7-16)21(31)25-11-13-2-4-14(22)5-3-13/h2-5,10,12,16H,6-9,11H2,1H3,(H,25,31)
InChIKeyWNQFIIUUHHCPBG-UHFFFAOYSA-N
XLogP2.95
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

7-chloro-4-[1-[4-[(dimethylamino)methyl]phenyl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 170344718
2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide
CID 170344673
4-(8-azabicyclo[3.2.1]octan-3-yl)-7-chloro-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 163381835
7-chloro-4-[1-[5-[(2,4-dimethylpiperazin-1-yl)methyl]pyrimidin-2-yl]piperidin-4-yl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
CID 170344609
(3S,4S)-N-[(4-chlorophenyl)methyl]-3,4-dihydroxypiperidine-1-carboxamide
CID 56909428
7-cyclopropyl-1-methyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrido[2,3-b]pyrazine-2,3-dione
CID 163381763
N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111440705
3-(5-chloropyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 119100545
methyl 4-[(4-chlorophenyl)methylcarbamoyl]piperazine-1-carboxylate
CID 108899356
N-[(4-chlorophenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide
CID 90592378
N-benzyl-4-[6-[bis(4-chlorophenyl)methyl]-2-cyclopropylbenzimidazol-1-yl]piperidine-1-carboxamide
CID 126616457
1-(1-acetylpiperidin-4-yl)-N-[(4-chlorophenyl)methyl]-2,5-dimethylimidazole-4-carboxamide
CID 53181622

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide (CID 170347486) is 4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide is Cn1c(=O)c(=O)n(C2CCN(C(=O)NCc3ccc(Cl)cc3)CC2)c2ncc(Cl)cc21.
What is the InChIKey of 4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide?
The InChIKey is WNQFIIUUHHCPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N5O3/c1-26-17-10-15(23)12-24-18(17)28(20(30)19(26)29)16-6-8-27(9-7-16)21(31)25-11-13-2-4-14(22)5-3-13/h2-5,10,12,16H,6-9,11H2,1H3,(H,25,31).
What are the key properties of 4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide?
4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide has a molecular weight of 462.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)-N-[(4-chlorophenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 170347486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).