N-[(2R)-2,5-dihydroxy-2-methylpentyl]-3-(3,6-dimethylpyrazin-2-yl)benzamide

C19H25N3O3 — CID 125174711

IUPACN-[(2R)-2,5-dihydroxy-2-methylpentyl]-3-(3,6-dimethylpyrazin-2-yl)benzamide
SMILESCc1cnc(C)c(-c2cccc(C(=O)NC[C@](C)(O)CCCO)c2)n1
InChIInChI=1S/C19H25N3O3/c1-13-11-20-14(2)17(22-13)15-6-4-7-16(10-15)18(24)21-12-19(3,25)8-5-9-23/h4,6-7,10-11,23,25H,5,8-9,12H2,1-3H3,(H,21,24)/t19-/m1/s1
InChIKeyGIAAIAPVBDUXBE-LJQANCHMSA-N
MW343.43 g/mol
LogP2.01
Rot. Bonds7

About N-[(2R)-2,5-dihydroxy-2-methylpentyl]-3-(3,6-dimethylpyrazin-2-yl)benzamide

N-[(2R)-2,5-dihydroxy-2-methylpentyl]-3-(3,6-dimethylpyrazin-2-yl)benzamide (PubChem CID 125174711) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(2R)-2,5-dihydroxy-2-methylpentyl]-3-(3,6-dimethylpyrazin-2-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2,5-dihydroxy-2-methylpentyl]-3-(3,6-dimethylpyrazin-2-yl)benzamide
PubChem CID125174711
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[(2R)-2,5-dihydroxy-2-methylpentyl]-3-(3,6-dimethylpyrazin-2-yl)benzamide
SMILESCc1cnc(C)c(-c2cccc(C(=O)NC[C@](C)(O)CCCO)c2)n1
InChIInChI=1S/C19H25N3O3/c1-13-11-20-14(2)17(22-13)15-6-4-7-16(10-15)18(24)21-12-19(3,25)8-5-9-23/h4,6-7,10-11,23,25H,5,8-9,12H2,1-3H3,(H,21,24)/t19-/m1/s1
InChIKeyGIAAIAPVBDUXBE-LJQANCHMSA-N
XLogP2.01
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2,5-dihydroxy-2-methylpentyl]-3-(4-fluorophenyl)benzamide
CID 125167425
3-(3,6-dimethylpyrazin-2-yl)benzoic acid
CID 118227401
3-(4-aminoquinolin-8-yl)-N-(2,5-dihydroxy-2-methylpentyl)benzamide
CID 122559927
N-(2-ethyl-2,5-dihydroxypentyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 119073913
N-(2-hydroxy-2,5-dimethylhexyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 111595875
N-(5-hydroxy-2,2-dimethylpentyl)-3,4-dimethylbenzamide
CID 103899541
N-(5-hydroxy-2,2-dimethylpentyl)-5-methylpyrazine-2-carboxamide
CID 103900021
N-(5-hydroxy-2,2-dimethylpentyl)-3-(methylsulfanylmethyl)benzamide
CID 103899419
1-[(2R)-2,5-dihydroxy-2-methylpentyl]-3-[4-(3-methylphenyl)phenyl]urea
CID 125169821
1-(2,5-dihydroxy-2-methylpentyl)-3-[4-(3-methylphenyl)phenyl]urea
CID 118784892
N-(5-chloro-2,2-dimethylpentyl)-3-methylbenzamide
CID 114149573
3,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899582

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2,5-dihydroxy-2-methylpentyl]-3-(3,6-dimethylpyrazin-2-yl)benzamide?
The IUPAC name of N-[(2R)-2,5-dihydroxy-2-methylpentyl]-3-(3,6-dimethylpyrazin-2-yl)benzamide (CID 125174711) is N-[(2R)-2,5-dihydroxy-2-methylpentyl]-3-(3,6-dimethylpyrazin-2-yl)benzamide.
What is the SMILES notation for N-[(2R)-2,5-dihydroxy-2-methylpentyl]-3-(3,6-dimethylpyrazin-2-yl)benzamide?
The canonical SMILES for N-[(2R)-2,5-dihydroxy-2-methylpentyl]-3-(3,6-dimethylpyrazin-2-yl)benzamide is Cc1cnc(C)c(-c2cccc(C(=O)NC[C@](C)(O)CCCO)c2)n1.
What is the InChIKey of N-[(2R)-2,5-dihydroxy-2-methylpentyl]-3-(3,6-dimethylpyrazin-2-yl)benzamide?
The InChIKey is GIAAIAPVBDUXBE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-11-20-14(2)17(22-13)15-6-4-7-16(10-15)18(24)21-12-19(3,25)8-5-9-23/h4,6-7,10-11,23,25H,5,8-9,12H2,1-3H3,(H,21,24)/t19-/m1/s1.
What are the key properties of N-[(2R)-2,5-dihydroxy-2-methylpentyl]-3-(3,6-dimethylpyrazin-2-yl)benzamide?
N-[(2R)-2,5-dihydroxy-2-methylpentyl]-3-(3,6-dimethylpyrazin-2-yl)benzamide has a molecular weight of 343.43 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2,5-dihydroxy-2-methylpentyl]-3-(3,6-dimethylpyrazin-2-yl)benzamide is sourced from PubChem (CID 125174711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).