N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide

C19H17ClN4O2 — CID 134796821

IUPACN-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1nc2cccnc2n(C2CC2)c1=O
InChIInChI=1S/C19H17ClN4O2/c20-13-5-3-12(4-6-13)9-11-22-18(25)16-19(26)24(14-7-8-14)17-15(23-16)2-1-10-21-17/h1-6,10,14H,7-9,11H2,(H,22,25)
InChIKeyQCVMEUWVHPXUOV-UHFFFAOYSA-N
MW368.82 g/mol
LogP2.75
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide

N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide (PubChem CID 134796821) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
PubChem CID134796821
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1nc2cccnc2n(C2CC2)c1=O
InChIInChI=1S/C19H17ClN4O2/c20-13-5-3-12(4-6-13)9-11-22-18(25)16-19(26)24(14-7-8-14)17-15(23-16)2-1-10-21-17/h1-6,10,14H,7-9,11H2,(H,22,25)
InChIKeyQCVMEUWVHPXUOV-UHFFFAOYSA-N
XLogP2.75
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-N-(3-methoxypropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134797187
4-cyclopropyl-N,N-dimethyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134797668
1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-(2-phenylethyl)urea
CID 46331527
2-chloro-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26711708
2-bromo-4-cyclopropylpyrido[2,3-b]pyrazin-3-one
CID 58103199
N-[2-(4-chlorophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide
CID 18372521
2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-cyclopropylpyrido[2,3-b]pyrazin-3-one
CID 134799405
2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 46360261
1-(3-chloro-4-fluorophenyl)-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea
CID 50788081
2-[4-(6-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-4-cyclopentylpyrido[2,3-b]pyrazin-3-one
CID 134799315
1-cyclohexyl-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea
CID 46331537
N-[2-(4-chlorophenyl)ethyl]-4-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 46360101

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide (CID 134796821) is N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1nc2cccnc2n(C2CC2)c1=O.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
The InChIKey is QCVMEUWVHPXUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-13-5-3-12(4-6-13)9-11-22-18(25)16-19(26)24(14-7-8-14)17-15(23-16)2-1-10-21-17/h1-6,10,14H,7-9,11H2,(H,22,25).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide is sourced from PubChem (CID 134796821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).