3-(3-chlorophenyl)-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]propanamide

C21H22ClN5O2 — CID 70197482

IUPAC3-(3-chlorophenyl)-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]propanamide
SMILESCc1cnc(NCCc2ccccn2)c(=O)n1NC(=O)CCc1cccc(Cl)c1
InChIInChI=1S/C21H22ClN5O2/c1-15-14-25-20(24-12-10-18-7-2-3-11-23-18)21(29)27(15)26-19(28)9-8-16-5-4-6-17(22)13-16/h2-7,11,13-14H,8-10,12H2,1H3,(H,24,25)(H,26,28)
InChIKeyRWODHYBFLPQMMN-UHFFFAOYSA-N
MW411.89 g/mol
LogP2.96
Rot. Bonds8

About 3-(3-chlorophenyl)-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]propanamide

3-(3-chlorophenyl)-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]propanamide (PubChem CID 70197482) has the molecular formula C21H22ClN5O2 and a molecular weight of 411.89 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]propanamide
PubChem CID70197482
Molecular FormulaC21H22ClN5O2
Molecular Weight411.89 g/mol
Exact Mass411.15
IUPAC Name3-(3-chlorophenyl)-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]propanamide
SMILESCc1cnc(NCCc2ccccn2)c(=O)n1NC(=O)CCc1cccc(Cl)c1
InChIInChI=1S/C21H22ClN5O2/c1-15-14-25-20(24-12-10-18-7-2-3-11-23-18)21(29)27(15)26-19(28)9-8-16-5-4-6-17(22)13-16/h2-7,11,13-14H,8-10,12H2,1H3,(H,24,25)(H,26,28)
InChIKeyRWODHYBFLPQMMN-UHFFFAOYSA-N
XLogP2.96
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141858
2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid
CID 18621230
2-[2-(acetamidomethyl)-4-chlorophenoxy]-2-cyclopropyl-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide
CID 70202953
N-[(3-chlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-4-ylethylamino)pyrazin-1-yl]acetamide
CID 86291020
6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one
CID 11363911
3-chloro-N-(2-pyridin-2-ylethyl)aniline
CID 5001899
1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one
CID 58869659
N-[[5-chloro-2-[2-oxo-2-(piperidin-3-ylamino)ethoxy]phenyl]methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide
CID 53324991
6-chloro-1-[2-[2-(3-chloro-2-methylphenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one
CID 70336650
4-chloro-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 19432992
N-[(3-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 86983262
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]propanamide (CID 70197482) is 3-(3-chlorophenyl)-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]propanamide is Cc1cnc(NCCc2ccccn2)c(=O)n1NC(=O)CCc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]propanamide?
The InChIKey is RWODHYBFLPQMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O2/c1-15-14-25-20(24-12-10-18-7-2-3-11-23-18)21(29)27(15)26-19(28)9-8-16-5-4-6-17(22)13-16/h2-7,11,13-14H,8-10,12H2,1H3,(H,24,25)(H,26,28).
What are the key properties of 3-(3-chlorophenyl)-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]propanamide?
3-(3-chlorophenyl)-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]propanamide has a molecular weight of 411.89 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]propanamide is sourced from PubChem (CID 70197482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).