5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(dimethylamino)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one

C18H24ClN5O — CID 46881748

IUPAC5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(dimethylamino)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one
SMILESCc1cc(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C)nc1N(C)C
InChIInChI=1S/C18H24ClN5O/c1-10-8-14(11(2)20-17(10)23(4)5)21-16-18(25)24(9-15(19)22-16)12(3)13-6-7-13/h8-9,12-13H,6-7H2,1-5H3,(H,21,22)/t12-/m1/s1
InChIKeyWFAWSQOYHNWGQF-GFCCVEGCSA-N
MW361.88 g/mol
LogP3.69
Rot. Bonds5

About 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(dimethylamino)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one

5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(dimethylamino)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one (PubChem CID 46881748) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(dimethylamino)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(dimethylamino)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one
PubChem CID46881748
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC Name5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(dimethylamino)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one
SMILESCc1cc(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C)nc1N(C)C
InChIInChI=1S/C18H24ClN5O/c1-10-8-14(11(2)20-17(10)23(4)5)21-16-18(25)24(9-15(19)22-16)12(3)13-6-7-13/h8-9,12-13H,6-7H2,1-5H3,(H,21,22)/t12-/m1/s1
InChIKeyWFAWSQOYHNWGQF-GFCCVEGCSA-N
XLogP3.69
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(dimethylamino)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one with MolForge

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Related Compounds

L-375378
CID 154118
N-(6-Amino-2,4-dimethyl-pyridin-3-ylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 6426822
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-3-((R)-1-methyl-2-phenyl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-acetamide
CID 11796404
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-(5-chloro-6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 10599262
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-3-((S)-1-methyl-2-phenyl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-acetamide
CID 10835917
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenyl-propylamino)-2H-pyrazin-1-yl]-acetamide
CID 10884304
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[3-(1,1-dimethyl-2-phenyl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-acetamide
CID 11797101
2-(3-Amino-6-methyl-2-oxo-2H-pyrazin-1-yl)-N-(6-amino-2-methyl-pyridin-3-ylmethyl)-acetamide
CID 44289619
(R)-5-chloro-1-(1-cyclopropylethyl)-3-(2,4,6-trimethylpyridin-3-ylamino)pyrazin-2(1H)-one
CID 46881745
(R)-5-chloro-1-(1-cyclopropylethyl)-3-(2,5-dimethyl-6-(pyrrolidin-1-yl)pyridin-3-ylamino)pyrazin-2(1H)-one
CID 46881790
(R)-5-chloro-1-(1-cyclopropylethyl)-3-(2-methyl-6-(trifluoromethyl)pyridin-3-ylamino)pyrazin-2(1H)-one
CID 46881791
(2S)-2-[(3-cyano-6-methyl-4-propan-2-yl-2-pyridinyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 168283475

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(dimethylamino)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one?
The IUPAC name of 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(dimethylamino)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one (CID 46881748) is 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(dimethylamino)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one.
What is the SMILES notation for 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(dimethylamino)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one?
The canonical SMILES for 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(dimethylamino)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one is Cc1cc(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C)nc1N(C)C.
What is the InChIKey of 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(dimethylamino)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one?
The InChIKey is WFAWSQOYHNWGQF-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H24ClN5O/c1-10-8-14(11(2)20-17(10)23(4)5)21-16-18(25)24(9-15(19)22-16)12(3)13-6-7-13/h8-9,12-13H,6-7H2,1-5H3,(H,21,22)/t12-/m1/s1.
What are the key properties of 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(dimethylamino)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one?
5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(dimethylamino)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one has a molecular weight of 361.88 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[[6-(dimethylamino)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one is sourced from PubChem (CID 46881748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).