methyl 6-[2-(5-methylpyrazine-2-carbonyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate

C17H17N5O4 — CID 3777676

IUPACmethyl 6-[2-(5-methylpyrazine-2-carbonyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCCN2C(=O)c2cnc(C)cn2)nc1
InChIInChI=1S/C17H17N5O4/c1-11-8-19-14(10-18-11)16(24)22-7-3-6-21(22)15(23)13-5-4-12(9-20-13)17(25)26-2/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeyXXJUYEOIHPGTCT-UHFFFAOYSA-N
MW355.35 g/mol
LogP0.87
Rot. Bonds3

About methyl 6-[2-(5-methylpyrazine-2-carbonyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate

methyl 6-[2-(5-methylpyrazine-2-carbonyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate (PubChem CID 3777676) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is methyl 6-[2-(5-methylpyrazine-2-carbonyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(5-methylpyrazine-2-carbonyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate
PubChem CID3777676
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC Namemethyl 6-[2-(5-methylpyrazine-2-carbonyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCCN2C(=O)c2cnc(C)cn2)nc1
InChIInChI=1S/C17H17N5O4/c1-11-8-19-14(10-18-11)16(24)22-7-3-6-21(22)15(23)13-5-4-12(9-20-13)17(25)26-2/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeyXXJUYEOIHPGTCT-UHFFFAOYSA-N
XLogP0.87
TPSA105.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 6-[2-(2-cyanoacetyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate
CID 3791112
methyl 6-[2-(2-ethoxyacetyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate
CID 3446587
(4-bromophenyl)-[2-(5-methylpyrazine-2-carbonyl)pyrazolidin-1-yl]methanone
CID 3848557
methyl 6-[2-(2-methylpropylcarbamothioyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate
CID 3545228
methyl 6-[2-[2-(5-bromo-3-pyridinyl)acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate
CID 3814607
methyl 6-[2-[2-[benzenesulfonyl(methyl)amino]acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate
CID 3604391
methyl 6-(3,5-dimethylpiperidine-1-carbonyl)pyridine-3-carboxylate
CID 42945586
methyl 6-[2-(3-methyl-2-methylsulfanyl-4-oxoquinazoline-7-carbonyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate
CID 3854135
(4-methoxycarbonylphenyl) 5-methylpyrazine-2-carboxylate
CID 7956905
methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate
CID 31676778
methyl 6-[2-[2-([1,2,4]triazolo[3,4-c][1,2,4]benzotriazin-1-ylsulfanyl)acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate
CID 23965656
methyl 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyridine-3-carboxylate
CID 31703991

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(5-methylpyrazine-2-carbonyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[2-(5-methylpyrazine-2-carbonyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate (CID 3777676) is methyl 6-[2-(5-methylpyrazine-2-carbonyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-(5-methylpyrazine-2-carbonyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[2-(5-methylpyrazine-2-carbonyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)N2CCCN2C(=O)c2cnc(C)cn2)nc1.
What is the InChIKey of methyl 6-[2-(5-methylpyrazine-2-carbonyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate?
The InChIKey is XXJUYEOIHPGTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4/c1-11-8-19-14(10-18-11)16(24)22-7-3-6-21(22)15(23)13-5-4-12(9-20-13)17(25)26-2/h4-5,8-10H,3,6-7H2,1-2H3.
What are the key properties of methyl 6-[2-(5-methylpyrazine-2-carbonyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate?
methyl 6-[2-(5-methylpyrazine-2-carbonyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate has a molecular weight of 355.35 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(5-methylpyrazine-2-carbonyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate is sourced from PubChem (CID 3777676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).