3,5,6-trimethyl-N-[(3R,4R)-4-methyl-1-(1-methylpiperidine-3-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide

C20H31N5O2 — CID 167834302

IUPAC3,5,6-trimethyl-N-[(3R,4R)-4-methyl-1-(1-methylpiperidine-3-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESCc1nc(C)c(C(=O)N[C@H]2CN(C(=O)C3CCCN(C)C3)C[C@H]2C)nc1C
InChIInChI=1S/C20H31N5O2/c1-12-9-25(20(27)16-7-6-8-24(5)10-16)11-17(12)23-19(26)18-15(4)21-13(2)14(3)22-18/h12,16-17H,6-11H2,1-5H3,(H,23,26)/t12-,16?,17+/m1/s1
InChIKeyGERZOQGQYZDPPN-PWBPUHETSA-N
MW373.50 g/mol
LogP1.32
Rot. Bonds3

About 3,5,6-trimethyl-N-[(3R,4R)-4-methyl-1-(1-methylpiperidine-3-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide

3,5,6-trimethyl-N-[(3R,4R)-4-methyl-1-(1-methylpiperidine-3-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide (PubChem CID 167834302) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 3,5,6-trimethyl-N-[(3R,4R)-4-methyl-1-(1-methylpiperidine-3-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5,6-trimethyl-N-[(3R,4R)-4-methyl-1-(1-methylpiperidine-3-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
PubChem CID167834302
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name3,5,6-trimethyl-N-[(3R,4R)-4-methyl-1-(1-methylpiperidine-3-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESCc1nc(C)c(C(=O)N[C@H]2CN(C(=O)C3CCCN(C)C3)C[C@H]2C)nc1C
InChIInChI=1S/C20H31N5O2/c1-12-9-25(20(27)16-7-6-8-24(5)10-16)11-17(12)23-19(26)18-15(4)21-13(2)14(3)22-18/h12,16-17H,6-11H2,1-5H3,(H,23,26)/t12-,16?,17+/m1/s1
InChIKeyGERZOQGQYZDPPN-PWBPUHETSA-N
XLogP1.32
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyl-N-[(3R,4R)-4-methyl-1-(1-methylpiperidine-3-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 3,5,6-trimethyl-N-[(3R,4R)-4-methyl-1-(1-methylpiperidine-3-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide (CID 167834302) is 3,5,6-trimethyl-N-[(3R,4R)-4-methyl-1-(1-methylpiperidine-3-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3,5,6-trimethyl-N-[(3R,4R)-4-methyl-1-(1-methylpiperidine-3-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3,5,6-trimethyl-N-[(3R,4R)-4-methyl-1-(1-methylpiperidine-3-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide is Cc1nc(C)c(C(=O)N[C@H]2CN(C(=O)C3CCCN(C)C3)C[C@H]2C)nc1C.
What is the InChIKey of 3,5,6-trimethyl-N-[(3R,4R)-4-methyl-1-(1-methylpiperidine-3-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is GERZOQGQYZDPPN-PWBPUHETSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-12-9-25(20(27)16-7-6-8-24(5)10-16)11-17(12)23-19(26)18-15(4)21-13(2)14(3)22-18/h12,16-17H,6-11H2,1-5H3,(H,23,26)/t12-,16?,17+/m1/s1.
What are the key properties of 3,5,6-trimethyl-N-[(3R,4R)-4-methyl-1-(1-methylpiperidine-3-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide?
3,5,6-trimethyl-N-[(3R,4R)-4-methyl-1-(1-methylpiperidine-3-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethyl-N-[(3R,4R)-4-methyl-1-(1-methylpiperidine-3-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 167834302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).