(3S,4S)-N-methyl-1-(5-methylpyrazine-2-carbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide

C15H19N7O2 — CID 91911181

IUPAC(3S,4S)-N-methyl-1-(5-methylpyrazine-2-carbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2cnc(C)cn2)C[C@H]1c1n[nH]c(C)n1
InChIInChI=1S/C15H19N7O2/c1-8-4-18-12(5-17-8)15(24)22-6-10(11(7-22)14(23)16-3)13-19-9(2)20-21-13/h4-5,10-11H,6-7H2,1-3H3,(H,16,23)(H,19,20,21)/t10-,11-/m1/s1
InChIKeyDAWNUDYDWNEMEL-GHMZBOCLSA-N
MW329.36 g/mol
LogP-0.19
Rot. Bonds3

About (3S,4S)-N-methyl-1-(5-methylpyrazine-2-carbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide

(3S,4S)-N-methyl-1-(5-methylpyrazine-2-carbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide (PubChem CID 91911181) has the molecular formula C15H19N7O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is (3S,4S)-N-methyl-1-(5-methylpyrazine-2-carbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-methyl-1-(5-methylpyrazine-2-carbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide
PubChem CID91911181
Molecular FormulaC15H19N7O2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name(3S,4S)-N-methyl-1-(5-methylpyrazine-2-carbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2cnc(C)cn2)C[C@H]1c1n[nH]c(C)n1
InChIInChI=1S/C15H19N7O2/c1-8-4-18-12(5-17-8)15(24)22-6-10(11(7-22)14(23)16-3)13-19-9(2)20-21-13/h4-5,10-11H,6-7H2,1-3H3,(H,16,23)(H,19,20,21)/t10-,11-/m1/s1
InChIKeyDAWNUDYDWNEMEL-GHMZBOCLSA-N
XLogP-0.19
TPSA116.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-methyl-1-(5-methylpyrazine-2-carbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-methyl-1-(5-methylpyrazine-2-carbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide (CID 91911181) is (3S,4S)-N-methyl-1-(5-methylpyrazine-2-carbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-methyl-1-(5-methylpyrazine-2-carbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-methyl-1-(5-methylpyrazine-2-carbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CN(C(=O)c2cnc(C)cn2)C[C@H]1c1n[nH]c(C)n1.
What is the InChIKey of (3S,4S)-N-methyl-1-(5-methylpyrazine-2-carbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide?
The InChIKey is DAWNUDYDWNEMEL-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H19N7O2/c1-8-4-18-12(5-17-8)15(24)22-6-10(11(7-22)14(23)16-3)13-19-9(2)20-21-13/h4-5,10-11H,6-7H2,1-3H3,(H,16,23)(H,19,20,21)/t10-,11-/m1/s1.
What are the key properties of (3S,4S)-N-methyl-1-(5-methylpyrazine-2-carbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide?
(3S,4S)-N-methyl-1-(5-methylpyrazine-2-carbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide has a molecular weight of 329.36 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-methyl-1-(5-methylpyrazine-2-carbonyl)-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91911181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).