N-methyl-3-[3-(methylamino)pyrazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide

C20H24N6O — CID 122572204

IUPACN-methyl-3-[3-(methylamino)pyrazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide
SMILESCCCc1cc(CN(C)C(=O)c2cccc(-c3nccnc3NC)c2)[nH]n1
InChIInChI=1S/C20H24N6O/c1-4-6-16-12-17(25-24-16)13-26(3)20(27)15-8-5-7-14(11-15)18-19(21-2)23-10-9-22-18/h5,7-12H,4,6,13H2,1-3H3,(H,21,23)(H,24,25)
InChIKeyBBYFXQUOIKLMET-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.13
Rot. Bonds7

About N-methyl-3-[3-(methylamino)pyrazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide

N-methyl-3-[3-(methylamino)pyrazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide (PubChem CID 122572204) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-methyl-3-[3-(methylamino)pyrazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[3-(methylamino)pyrazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide
PubChem CID122572204
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-methyl-3-[3-(methylamino)pyrazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide
SMILESCCCc1cc(CN(C)C(=O)c2cccc(-c3nccnc3NC)c2)[nH]n1
InChIInChI=1S/C20H24N6O/c1-4-6-16-12-17(25-24-16)13-26(3)20(27)15-8-5-7-14(11-15)18-19(21-2)23-10-9-22-18/h5,7-12H,4,6,13H2,1-3H3,(H,21,23)(H,24,25)
InChIKeyBBYFXQUOIKLMET-UHFFFAOYSA-N
XLogP3.13
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide
CID 118767035
4-(3-methoxyphenyl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide
CID 77097945
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
CID 154513358
3-[3-(ethylamino)pyrazin-2-yl]-N-(2-hydroxyethyl)benzamide
CID 126472476
N-ethyl-3-[3-(methylamino)pyrazin-2-yl]-N-[[(2R)-oxan-2-yl]methyl]benzamide
CID 125442918
[3-[3-(methylamino)pyrazin-2-yl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 122555826
3-(4-cyanophenyl)-1-methyl-1-[(3-propyl-1H-pyrazol-5-yl)methyl]urea
CID 72934701
4-[[(2S,5R)-5-[hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide
CID 163777433
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide
CID 56745611
N-methyl-N-(1H-pyrazol-5-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 29025706
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-3-carboxamide
CID 42519717
N-methyl-1-(3-propyl-1H-pyrazol-5-yl)-N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]methanamine
CID 77091777

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(methylamino)pyrazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide?
The IUPAC name of N-methyl-3-[3-(methylamino)pyrazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide (CID 122572204) is N-methyl-3-[3-(methylamino)pyrazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide.
What is the SMILES notation for N-methyl-3-[3-(methylamino)pyrazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide?
The canonical SMILES for N-methyl-3-[3-(methylamino)pyrazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide is CCCc1cc(CN(C)C(=O)c2cccc(-c3nccnc3NC)c2)[nH]n1.
What is the InChIKey of N-methyl-3-[3-(methylamino)pyrazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide?
The InChIKey is BBYFXQUOIKLMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-4-6-16-12-17(25-24-16)13-26(3)20(27)15-8-5-7-14(11-15)18-19(21-2)23-10-9-22-18/h5,7-12H,4,6,13H2,1-3H3,(H,21,23)(H,24,25).
What are the key properties of N-methyl-3-[3-(methylamino)pyrazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide?
N-methyl-3-[3-(methylamino)pyrazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(methylamino)pyrazin-2-yl]-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide is sourced from PubChem (CID 122572204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).