3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;methyl 5-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate;methyl 5-aminopyridine-2-carboxylate

C38H36N10O7 — CID 159268329

IUPAC3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;methyl 5-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate;methyl 5-aminopyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)cn1.COC(=O)c1ccc(NC(=O)c2nc(-c3ccc(C)cc3)cnc2N)cn1.Cc1ccc(-c2cnc(N)c(C(=O)O)n2)cc1
InChIInChI=1S/C19H17N5O3.C12H11N3O2.C7H8N2O2/c1-11-3-5-12(6-4-11)15-10-22-17(20)16(24-15)18(25)23-13-7-8-14(21-9-13)19(26)27-2;1-7-2-4-8(5-3-7)9-6-14-11(13)10(15-9)12(16)17;1-11-7(10)6-3-2-5(8)4-9-6/h3-10H,1-2H3,(H2,20,22)(H,23,25);2-6H,1H3,(H2,13,14)(H,16,17);2-4H,8H2,1H3
InChIKeyKXJSFESCPFRDIS-UHFFFAOYSA-N
MW744.77 g/mol
LogP4.65
Rot. Bonds7

About 3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;methyl 5-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate;methyl 5-aminopyridine-2-carboxylate

3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;methyl 5-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate;methyl 5-aminopyridine-2-carboxylate (PubChem CID 159268329) has the molecular formula C38H36N10O7 and a molecular weight of 744.77 g/mol. Its IUPAC name is 3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;methyl 5-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate;methyl 5-aminopyridine-2-carboxylate.

Molecular Properties

Compound Name3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;methyl 5-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate;methyl 5-aminopyridine-2-carboxylate
PubChem CID159268329
Molecular FormulaC38H36N10O7
Molecular Weight744.77 g/mol
Exact Mass744.28
IUPAC Name3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;methyl 5-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate;methyl 5-aminopyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)cn1.COC(=O)c1ccc(NC(=O)c2nc(-c3ccc(C)cc3)cnc2N)cn1.Cc1ccc(-c2cnc(N)c(C(=O)O)n2)cc1
InChIInChI=1S/C19H17N5O3.C12H11N3O2.C7H8N2O2/c1-11-3-5-12(6-4-11)15-10-22-17(20)16(24-15)18(25)23-13-7-8-14(21-9-13)19(26)27-2;1-7-2-4-8(5-3-7)9-6-14-11(13)10(15-9)12(16)17;1-11-7(10)6-3-2-5(8)4-9-6/h3-10H,1-2H3,(H2,20,22)(H,23,25);2-6H,1H3,(H2,13,14)(H,16,17);2-4H,8H2,1H3
InChIKeyKXJSFESCPFRDIS-UHFFFAOYSA-N
XLogP4.65
TPSA274.40 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.77
LogP ≤ 54.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

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Related Compounds

5-[[2-(2-Piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]pyridine-2-carboxylic acid
CID 67128133
Ethyl 6-(2-amino-4-pyridinyl)-4-[[4-(morpholin-4-ylmethyl)cyclohexyl]amino]-1,5-naphthyridine-3-carboxylate
CID 156013079
Methyl 4-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]-2-fluorobenzoate
CID 156817110
2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2,6-bis(trifluoromethyl)-3-pyridinyl]ethanone;N-tert-butyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;ethyl 2-amino-6-(trifluoromethyl)pyridine-3-carboxylate;2-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-[2-phenyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 159561965
3-amino-N-phenyl-6-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide;6-[4-(methanesulfonamido)phenyl]-3-methyl-N-phenylpyrazine-2-carboxamide;3-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;4-[5-methyl-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;molecular hydrogen
CID 159844548
3-amino-6-[4-(methanesulfonamido)phenyl]-N-phenylpyrazine-2-carboxamide;3-[5-amino-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;4-[5-amino-6-(phenylcarbamoyl)pyrazin-2-yl]benzoic acid;3-amino-N-phenyl-6-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide;molecular hydrogen
CID 161897269
6-[3-[(1R)-1-aminoethyl]pyrazin-2-yl]pyridine-3-carboxylic acid;methyl 6-[3-[(1R)-1-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]pyrazin-2-yl]pyridine-3-carboxylate
CID 175807861
6-[3-[(1R)-1-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]pyrazin-2-yl]pyridine-3-carboxylic acid;methyl 6-[3-[(1R)-1-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]pyrazin-2-yl]pyridine-3-carboxylate
CID 175807968
6-(3,4-Dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;ethane;1-phenylpiperidine-3,4-diol;bis(6-(trifluoromethyl)pyrazin-2-amine)
CID 177015514
6-[4-[5-[(4-fluorophenyl)methylamino]-6-[(1R)-1-methoxyethyl]pyrazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2,4-dimethylpyridine-3-carboxylic acid
CID 177322702
3-amino-6-[4-[3-(3-methoxypropylamino)propyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide;benzoic acid
CID 66678813
5-[[2-[2-[4-[(2-Methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-pyridinyl]-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]pyridine-2-carboxylic acid
CID 66836335

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;methyl 5-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate;methyl 5-aminopyridine-2-carboxylate?
The IUPAC name of 3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;methyl 5-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate;methyl 5-aminopyridine-2-carboxylate (CID 159268329) is 3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;methyl 5-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate;methyl 5-aminopyridine-2-carboxylate.
What is the SMILES notation for 3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;methyl 5-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate;methyl 5-aminopyridine-2-carboxylate?
The canonical SMILES for 3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;methyl 5-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate;methyl 5-aminopyridine-2-carboxylate is COC(=O)c1ccc(N)cn1.COC(=O)c1ccc(NC(=O)c2nc(-c3ccc(C)cc3)cnc2N)cn1.Cc1ccc(-c2cnc(N)c(C(=O)O)n2)cc1.
What is the InChIKey of 3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;methyl 5-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate;methyl 5-aminopyridine-2-carboxylate?
The InChIKey is KXJSFESCPFRDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3.C12H11N3O2.C7H8N2O2/c1-11-3-5-12(6-4-11)15-10-22-17(20)16(24-15)18(25)23-13-7-8-14(21-9-13)19(26)27-2;1-7-2-4-8(5-3-7)9-6-14-11(13)10(15-9)12(16)17;1-11-7(10)6-3-2-5(8)4-9-6/h3-10H,1-2H3,(H2,20,22)(H,23,25);2-6H,1H3,(H2,13,14)(H,16,17);2-4H,8H2,1H3.
What are the key properties of 3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;methyl 5-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate;methyl 5-aminopyridine-2-carboxylate?
3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;methyl 5-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate;methyl 5-aminopyridine-2-carboxylate has a molecular weight of 744.77 g/mol, XLogP of 4.65, 7 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-methylphenyl)pyrazine-2-carboxylic acid;methyl 5-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]pyridine-2-carboxylate;methyl 5-aminopyridine-2-carboxylate is sourced from PubChem (CID 159268329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).