3-[6-[(3,4-dichlorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]propanamide

C22H18Cl2N6O2 — CID 24830552

IUPAC3-[6-[(3,4-dichlorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]propanamide
SMILESNC(=O)CCn1c(=O)c(-c2cccnc2)nc2ccc(NCc3ccc(Cl)c(Cl)c3)nc21
InChIInChI=1S/C22H18Cl2N6O2/c23-15-4-3-13(10-16(15)24)11-27-19-6-5-17-21(29-19)30(9-7-18(25)31)22(32)20(28-17)14-2-1-8-26-12-14/h1-6,8,10,12H,7,9,11H2,(H2,25,31)(H,27,29)
InChIKeyAYCRWYMTBOCUIP-UHFFFAOYSA-N
MW469.33 g/mol
LogP3.65
Rot. Bonds7

About 3-[6-[(3,4-dichlorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]propanamide

3-[6-[(3,4-dichlorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]propanamide (PubChem CID 24830552) has the molecular formula C22H18Cl2N6O2 and a molecular weight of 469.33 g/mol. Its IUPAC name is 3-[6-[(3,4-dichlorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]propanamide.

Molecular Properties

Compound Name3-[6-[(3,4-dichlorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]propanamide
PubChem CID24830552
Molecular FormulaC22H18Cl2N6O2
Molecular Weight469.33 g/mol
Exact Mass468.09
IUPAC Name3-[6-[(3,4-dichlorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]propanamide
SMILESNC(=O)CCn1c(=O)c(-c2cccnc2)nc2ccc(NCc3ccc(Cl)c(Cl)c3)nc21
InChIInChI=1S/C22H18Cl2N6O2/c23-15-4-3-13(10-16(15)24)11-27-19-6-5-17-21(29-19)30(9-7-18(25)31)22(32)20(28-17)14-2-1-8-26-12-14/h1-6,8,10,12H,7,9,11H2,(H2,25,31)(H,27,29)
InChIKeyAYCRWYMTBOCUIP-UHFFFAOYSA-N
XLogP3.65
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.33
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(3,4-dichlorophenyl)methylamino]-4-[2-(ethenylamino)ethyl]-2-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one
CID 89143240
N-[2-[6-[(3-chloro-4-fluorophenyl)methylamino]-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
CID 24830388
3-[2-[(3,4-dichlorophenyl)methylamino]-6-(4-methoxyphenyl)-7-oxopteridin-8-yl]propanimidamide
CID 69099945
N-[2-[2-[(3,4-dichlorophenyl)methylamino]-6-(4-methoxyphenyl)-7-oxopteridin-8-yl]ethyl]-3-methylbenzamide
CID 25094201
N-[2-[2-[(3,4-dichlorophenyl)methylamino]-6-(4-methoxyphenyl)-7-oxopteridin-8-yl]ethyl]-3-fluorobenzamide
CID 25094271
N-[2-[2-oxo-3-pyridin-3-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide
CID 24831992
3-[[6-[(3,4-dichlorophenyl)methylamino]-3-nitro-2-pyridinyl]amino]propanamide
CID 66934224
2-[2-[(3,4-dichlorophenyl)methylamino]phenyl]acetamide
CID 43738436
N-[(2S)-1-amino-3-(4-benzoylphenyl)-1-oxopropan-2-yl]-4-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]oxybutanamide
CID 58784655
1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one
CID 55096177
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pyridine-3-carboxamide
CID 113041630
3-[[5-amino-2-[(3,4-dichlorophenyl)methylamino]pyrimidin-4-yl]amino]propanamide
CID 68540665

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3,4-dichlorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]propanamide?
The IUPAC name of 3-[6-[(3,4-dichlorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]propanamide (CID 24830552) is 3-[6-[(3,4-dichlorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]propanamide.
What is the SMILES notation for 3-[6-[(3,4-dichlorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]propanamide?
The canonical SMILES for 3-[6-[(3,4-dichlorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]propanamide is NC(=O)CCn1c(=O)c(-c2cccnc2)nc2ccc(NCc3ccc(Cl)c(Cl)c3)nc21.
What is the InChIKey of 3-[6-[(3,4-dichlorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]propanamide?
The InChIKey is AYCRWYMTBOCUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N6O2/c23-15-4-3-13(10-16(15)24)11-27-19-6-5-17-21(29-19)30(9-7-18(25)31)22(32)20(28-17)14-2-1-8-26-12-14/h1-6,8,10,12H,7,9,11H2,(H2,25,31)(H,27,29).
What are the key properties of 3-[6-[(3,4-dichlorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]propanamide?
3-[6-[(3,4-dichlorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]propanamide has a molecular weight of 469.33 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3,4-dichlorophenyl)methylamino]-3-oxo-2-pyridin-3-ylpyrido[2,3-b]pyrazin-4-yl]propanamide is sourced from PubChem (CID 24830552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).