N-(3-chlorophenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide

C19H19ClN6O2 — CID 53019972

IUPACN-(3-chlorophenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
SMILESCn1c(=O)c(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)nc2cccnc21
InChIInChI=1S/C19H19ClN6O2/c1-24-16-15(6-3-7-21-16)23-17(18(24)27)25-8-10-26(11-9-25)19(28)22-14-5-2-4-13(20)12-14/h2-7,12H,8-11H2,1H3,(H,22,28)
InChIKeyQWKUEGHQQPNWDJ-UHFFFAOYSA-N
MW398.85 g/mol
LogP2.34
Rot. Bonds2

About N-(3-chlorophenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide

N-(3-chlorophenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide (PubChem CID 53019972) has the molecular formula C19H19ClN6O2 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
PubChem CID53019972
Molecular FormulaC19H19ClN6O2
Molecular Weight398.85 g/mol
Exact Mass398.13
IUPAC NameN-(3-chlorophenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
SMILESCn1c(=O)c(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)nc2cccnc21
InChIInChI=1S/C19H19ClN6O2/c1-24-16-15(6-3-7-21-16)23-17(18(24)27)25-8-10-26(11-9-25)19(28)22-14-5-2-4-13(20)12-14/h2-7,12H,8-11H2,1H3,(H,22,28)
InChIKeyQWKUEGHQQPNWDJ-UHFFFAOYSA-N
XLogP2.34
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83273543
N-(3,5-dimethoxyphenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83274079
N-(4-ethylphenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83274086
N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 646916
N-(3-chlorophenyl)-4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperazine-1-carboxamide
CID 17071857
2-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397197
ethyl 4-[[4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]benzoate
CID 86809385
1-N-(3-chlorophenyl)-4-N-(2-methyl-3-pyridinyl)piperazine-1,4-dicarboxamide
CID 167975602
1-(3-chlorophenyl)-3-[1-(4-methyl-3-oxoquinoxalin-2-yl)piperidin-4-yl]urea
CID 46393184
4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
CID 83277226
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
N-(2-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 53019941

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide (CID 53019972) is N-(3-chlorophenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide is Cn1c(=O)c(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)nc2cccnc21.
What is the InChIKey of N-(3-chlorophenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide?
The InChIKey is QWKUEGHQQPNWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O2/c1-24-16-15(6-3-7-21-16)23-17(18(24)27)25-8-10-26(11-9-25)19(28)22-14-5-2-4-13(20)12-14/h2-7,12H,8-11H2,1H3,(H,22,28).
What are the key properties of N-(3-chlorophenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide?
N-(3-chlorophenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 53019972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).