2-(1-methylimidazol-2-yl)-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]benzamide

C20H22N6O — CID 126449447

IUPAC2-(1-methylimidazol-2-yl)-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
SMILESCn1ccnc1-c1ccccc1C(=O)N[C@@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C20H22N6O/c1-25-12-10-23-19(25)16-6-2-3-7-17(16)20(27)24-15-5-4-11-26(14-15)18-13-21-8-9-22-18/h2-3,6-10,12-13,15H,4-5,11,14H2,1H3,(H,24,27)/t15-/m1/s1
InChIKeyBAIIYVXLSFEDCB-OAHLLOKOSA-N
MW362.44 g/mol
LogP2.28
Rot. Bonds4

About 2-(1-methylimidazol-2-yl)-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]benzamide

2-(1-methylimidazol-2-yl)-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]benzamide (PubChem CID 126449447) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]benzamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
PubChem CID126449447
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name2-(1-methylimidazol-2-yl)-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
SMILESCn1ccnc1-c1ccccc1C(=O)N[C@@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C20H22N6O/c1-25-12-10-23-19(25)16-6-2-3-7-17(16)20(27)24-15-5-4-11-26(14-15)18-13-21-8-9-22-18/h2-3,6-10,12-13,15H,4-5,11,14H2,1H3,(H,24,27)/t15-/m1/s1
InChIKeyBAIIYVXLSFEDCB-OAHLLOKOSA-N
XLogP2.28
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylimidazol-2-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126449446
2,6-dimethoxy-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]pyridine-3-carboxamide
CID 99976530
1,6-dimethyl-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]indole-2-carboxamide
CID 126429000
N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide
CID 99990589
2-(1-methylimidazol-2-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
CID 56723308
N-(1-pyrazin-2-ylpiperidin-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 119067566
2-(methylamino)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3-thiazole-4-carboxamide
CID 99930841
(3S)-N-methyl-1-pyrazin-2-ylpiperidin-3-amine
CID 94476433
3-oxo-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4H-quinoxaline-2-carboxamide
CID 99932155
2-(2-methylbenzimidazol-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
CID 119072189
3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid
CID 126430008
N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 99971826

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]benzamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]benzamide (CID 126449447) is 2-(1-methylimidazol-2-yl)-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]benzamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]benzamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]benzamide is Cn1ccnc1-c1ccccc1C(=O)N[C@@H]1CCCN(c2cnccn2)C1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]benzamide?
The InChIKey is BAIIYVXLSFEDCB-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N6O/c1-25-12-10-23-19(25)16-6-2-3-7-17(16)20(27)24-15-5-4-11-26(14-15)18-13-21-8-9-22-18/h2-3,6-10,12-13,15H,4-5,11,14H2,1H3,(H,24,27)/t15-/m1/s1.
What are the key properties of 2-(1-methylimidazol-2-yl)-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]benzamide?
2-(1-methylimidazol-2-yl)-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]benzamide has a molecular weight of 362.44 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]benzamide is sourced from PubChem (CID 126449447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).