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

C20H21ClN6O2 — CID 53019941

IUPACN-(2-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
SMILESCCn1c(=O)c(N2CCN(C(=O)Nc3ccccc3Cl)CC2)nc2cccnc21
InChIInChI=1S/C20H21ClN6O2/c1-2-27-17-16(8-5-9-22-17)23-18(19(27)28)25-10-12-26(13-11-25)20(29)24-15-7-4-3-6-14(15)21/h3-9H,2,10-13H2,1H3,(H,24,29)
InChIKeyCWSGUDXSSPZGDG-UHFFFAOYSA-N
MW412.88 g/mol
LogP2.82
Rot. Bonds3

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

N-(2-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide (PubChem CID 53019941) has the molecular formula C20H21ClN6O2 and a molecular weight of 412.88 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
PubChem CID53019941
Molecular FormulaC20H21ClN6O2
Molecular Weight412.88 g/mol
Exact Mass412.14
IUPAC NameN-(2-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
SMILESCCn1c(=O)c(N2CCN(C(=O)Nc3ccccc3Cl)CC2)nc2cccnc21
InChIInChI=1S/C20H21ClN6O2/c1-2-27-17-16(8-5-9-22-17)23-18(19(27)28)25-10-12-26(13-11-25)20(29)24-15-7-4-3-6-14(15)21/h3-9H,2,10-13H2,1H3,(H,24,29)
InChIKeyCWSGUDXSSPZGDG-UHFFFAOYSA-N
XLogP2.82
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 52.82
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-(2,5-dimethoxyphenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83273552
methyl 2-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-4-methylbenzoate
CID 53019970
4-ethyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one
CID 87050114
4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
CID 83277226
N-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 44754338
N-(2-chlorophenyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide
CID 46389455
4-(4-ethyl-3-oxoquinoxalin-2-yl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 53070095
1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-methylpiperidine-4-carboxamide
CID 50781195
ethyl (3R)-3-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate
CID 95053127
methyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate
CID 53070062
4-benzyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one
CID 83273218

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide (CID 53019941) is N-(2-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide is CCn1c(=O)c(N2CCN(C(=O)Nc3ccccc3Cl)CC2)nc2cccnc21.
What is the InChIKey of N-(2-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide?
The InChIKey is CWSGUDXSSPZGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O2/c1-2-27-17-16(8-5-9-22-17)23-18(19(27)28)25-10-12-26(13-11-25)20(29)24-15-7-4-3-6-14(15)21/h3-9H,2,10-13H2,1H3,(H,24,29).
What are the key properties of N-(2-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide?
N-(2-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide has a molecular weight of 412.88 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 53019941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).