N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide

C17H20N4O — CID 95726988

IUPACN-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCc1cnc(CNC(=O)c2ccccc2[C@@H]2CCNC2)cn1
InChIInChI=1S/C17H20N4O/c1-12-8-20-14(10-19-12)11-21-17(22)16-5-3-2-4-15(16)13-6-7-18-9-13/h2-5,8,10,13,18H,6-7,9,11H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyIYRJKFKOCNCMAQ-CYBMUJFWSA-N
MW296.37 g/mol
LogP1.79
Rot. Bonds4

About N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide

N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 95726988) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID95726988
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCc1cnc(CNC(=O)c2ccccc2[C@@H]2CCNC2)cn1
InChIInChI=1S/C17H20N4O/c1-12-8-20-14(10-19-12)11-21-17(22)16-5-3-2-4-15(16)13-6-7-18-9-13/h2-5,8,10,13,18H,6-7,9,11H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyIYRJKFKOCNCMAQ-CYBMUJFWSA-N
XLogP1.79
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
CID 56898601
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
CID 56900513
N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 63006041
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 95713576
N-[(1-benzylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
CID 56895276
N-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)benzamide
CID 62841224
2-hydroxy-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62848139
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 136706433
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]benzamide
CID 95707440
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 95729073
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-pyrrolidin-3-ylbenzamide
CID 56913832
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 95714688

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide (CID 95726988) is N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide is Cc1cnc(CNC(=O)c2ccccc2[C@@H]2CCNC2)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is IYRJKFKOCNCMAQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-8-20-14(10-19-12)11-21-17(22)16-5-3-2-4-15(16)13-6-7-18-9-13/h2-5,8,10,13,18H,6-7,9,11H2,1H3,(H,21,22)/t13-/m1/s1.
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide?
N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 296.37 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 95726988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).