5-(methylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazine-2-carboxamide

C13H18N6O — CID 107374698

IUPAC5-(methylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)NCCCc2cn[nH]c2C)cn1
InChIInChI=1S/C13H18N6O/c1-9-10(6-18-19-9)4-3-5-15-13(20)11-7-17-12(14-2)8-16-11/h6-8H,3-5H2,1-2H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyAJUWYRBUTFRNCD-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.91
Rot. Bonds6

About 5-(methylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazine-2-carboxamide

5-(methylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazine-2-carboxamide (PubChem CID 107374698) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 5-(methylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazine-2-carboxamide
PubChem CID107374698
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name5-(methylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)NCCCc2cn[nH]c2C)cn1
InChIInChI=1S/C13H18N6O/c1-9-10(6-18-19-9)4-3-5-15-13(20)11-7-17-12(14-2)8-16-11/h6-8H,3-5H2,1-2H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyAJUWYRBUTFRNCD-UHFFFAOYSA-N
XLogP0.91
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-triazole-4-carboxamide
CID 78924905
6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2-carboxamide
CID 62239437
6-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-carboxamide
CID 62039665
N-(2-acetamidoethyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107374531
5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 115532278
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide
CID 79004761
2-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62040491
2,6-difluoro-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 82800230
6-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-carboxamide
CID 62039228
2,4-dihydroxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62039236
5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619552
4-hydroxy-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 103872854

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazine-2-carboxamide (CID 107374698) is 5-(methylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazine-2-carboxamide is CNc1cnc(C(=O)NCCCc2cn[nH]c2C)cn1.
What is the InChIKey of 5-(methylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazine-2-carboxamide?
The InChIKey is AJUWYRBUTFRNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-9-10(6-18-19-9)4-3-5-15-13(20)11-7-17-12(14-2)8-16-11/h6-8H,3-5H2,1-2H3,(H,14,17)(H,15,20)(H,18,19).
What are the key properties of 5-(methylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazine-2-carboxamide?
5-(methylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazine-2-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 107374698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).